From a88237df99a47e5bd9a7dc07e3df9d391983f736 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Tue, 14 Jul 2020 13:17:20 +0200 Subject: [PATCH 01/15] source code for fix widom --- src/USER-MISC/fix_widom.cpp | 1253 +++++++++++++++++++++++++++++++++++ src/USER-MISC/fix_widom.h | 257 +++++++ 2 files changed, 1510 insertions(+) create mode 100644 src/USER-MISC/fix_widom.cpp create mode 100644 src/USER-MISC/fix_widom.h diff --git a/src/USER-MISC/fix_widom.cpp b/src/USER-MISC/fix_widom.cpp new file mode 100644 index 0000000000..645276f3cb --- /dev/null +++ b/src/USER-MISC/fix_widom.cpp @@ -0,0 +1,1253 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- + Contributing author: Evangelos Voyiatzis (Royal DSM) +------------------------------------------------------------------------- */ + +#include +#include +#include +#include "fix_widom.h" +#include "atom.h" +#include "atom_vec.h" +#include "atom_vec_hybrid.h" +#include "molecule.h" +#include "update.h" +#include "modify.h" +#include "fix.h" +#include "comm.h" +#include "compute.h" +#include "group.h" +#include "domain.h" +#include "region.h" +#include "random_park.h" +#include "force.h" +#include "pair.h" +#include "bond.h" +#include "angle.h" +#include "dihedral.h" +#include "improper.h" +#include "kspace.h" +#include "math_extra.h" +#include "math_const.h" +#include "memory.h" +#include "error.h" +#include "thermo.h" +#include "output.h" +#include "neighbor.h" +#include + +using namespace std; +using namespace LAMMPS_NS; +using namespace FixConst; +using namespace MathConst; + +#define MAXENERGYTEST 1.0e50 + +enum{EXCHATOM,EXCHMOL}; // exchmode + +/* ---------------------------------------------------------------------- */ + +FixWidom::FixWidom(LAMMPS *lmp, int narg, char **arg) : + Fix(lmp, narg, arg), + idregion(NULL), full_flag(0), + local_gas_list(NULL), molcoords(NULL), molq(NULL), molimage(NULL), + random_equal(NULL) +{ + if (narg < 8) error->all(FLERR,"Illegal fix Widom command"); + + if (atom->molecular == 2) + error->all(FLERR,"Fix Widom does not (yet) work with atom_style template"); + + dynamic_group_allow = 1; + + vector_flag = 1; + size_vector = 3; + global_freq = 1; + extvector = 0; + restart_global = 1; + time_depend = 1; + + //ave_widom_chemical_potential = 0; + + // required args + + nevery = force->inumeric(FLERR,arg[3]); + ninsertions = force->inumeric(FLERR,arg[4]); + nwidom_type = force->inumeric(FLERR,arg[5]); + seed = force->inumeric(FLERR,arg[6]); + insertion_temperature = force->numeric(FLERR,arg[7]); + + if (nevery <= 0) error->all(FLERR,"Illegal fix Widom command"); + if (ninsertions < 0) error->all(FLERR,"Illegal fix Widom command"); + if (seed <= 0) error->all(FLERR,"Illegal fix Widom command"); + if (insertion_temperature < 0.0) + error->all(FLERR,"Illegal fix Widom command"); + + // read options from end of input line + + options(narg-8,&arg[8]); + + // random number generator, same for all procs + + random_equal = new RanPark(lmp,seed); + + // error checks on region and its extent being inside simulation box + + region_xlo = region_xhi = region_ylo = region_yhi = + region_zlo = region_zhi = 0.0; + if (regionflag) { + if (domain->regions[iregion]->bboxflag == 0) + error->all(FLERR,"Fix Widom region does not support a bounding box"); + if (domain->regions[iregion]->dynamic_check()) + error->all(FLERR,"Fix Widom region cannot be dynamic"); + + region_xlo = domain->regions[iregion]->extent_xlo; + region_xhi = domain->regions[iregion]->extent_xhi; + region_ylo = domain->regions[iregion]->extent_ylo; + region_yhi = domain->regions[iregion]->extent_yhi; + region_zlo = domain->regions[iregion]->extent_zlo; + region_zhi = domain->regions[iregion]->extent_zhi; + + if (region_xlo < domain->boxlo[0] || region_xhi > domain->boxhi[0] || + region_ylo < domain->boxlo[1] || region_yhi > domain->boxhi[1] || + region_zlo < domain->boxlo[2] || region_zhi > domain->boxhi[2]) + error->all(FLERR,"Fix Widom region extends outside simulation box"); + + // estimate region volume using MC trials + + double coord[3]; + int inside = 0; + int attempts = 10000000; + for (int i = 0; i < attempts; i++) { + coord[0] = region_xlo + random_equal->uniform() * (region_xhi-region_xlo); + coord[1] = region_ylo + random_equal->uniform() * (region_yhi-region_ylo); + coord[2] = region_zlo + random_equal->uniform() * (region_zhi-region_zlo); + if (domain->regions[iregion]->match(coord[0],coord[1],coord[2]) != 0) + inside++; + } + + double max_region_volume = (region_xhi - region_xlo)* + (region_yhi - region_ylo)*(region_zhi - region_zlo); + + region_volume = max_region_volume*static_cast (inside)/ + static_cast (attempts); + } + + // error check and further setup for exchmode = EXCHMOL + + if (exchmode == EXCHMOL) { + if (onemols[imol]->xflag == 0) + error->all(FLERR,"Fix Widom molecule must have coordinates"); + if (onemols[imol]->typeflag == 0) + error->all(FLERR,"Fix Widom molecule must have atom types"); + if (nwidom_type != 0) + error->all(FLERR,"Atom type must be zero in fix Widom mol command"); + if (onemols[imol]->qflag == 1 && atom->q == NULL) + error->all(FLERR,"Fix Widom molecule has charges, but atom style does not"); + + if (atom->molecular == 2 && onemols != atom->avec->onemols) + error->all(FLERR,"Fix Widom molecule template ID must be same " + "as atom_style template ID"); + onemols[imol]->check_attributes(0); + } + + if (charge_flag && atom->q == NULL) + error->all(FLERR,"Fix Widom atom has charge, but atom style does not"); + + // setup of array of coordinates for molecule insertion + + if (exchmode == EXCHATOM) natoms_per_molecule = 1; + else natoms_per_molecule = onemols[imol]->natoms; + nmaxmolatoms = natoms_per_molecule; + grow_molecule_arrays(nmaxmolatoms); + + // set up reneighboring + + force_reneighbor = 1; + next_reneighbor = update->ntimestep + 1; + + // zero out counters + widom_nmax = 0; + local_gas_list = NULL; +} + +/* ---------------------------------------------------------------------- + parse optional parameters at end of input line +------------------------------------------------------------------------- */ + +void FixWidom::options(int narg, char **arg) +{ + if (narg < 0) error->all(FLERR,"Illegal fix Widom command"); + + // defaults + + exchmode = EXCHATOM; + regionflag = 0; + iregion = -1; + region_volume = 0; + max_region_attempts = 1000; + molecule_group = 0; + molecule_group_bit = 0; + molecule_group_inversebit = 0; + exclusion_group = 0; + exclusion_group_bit = 0; + charge = 0.0; + charge_flag = false; + full_flag = false; + energy_intra = 0.0; + + int iarg = 0; + while (iarg < narg) { + if (strcmp(arg[iarg],"mol") == 0) { + if (iarg+2 > narg) error->all(FLERR,"Illegal fix Widom command"); + imol = atom->find_molecule(arg[iarg+1]); + if (imol == -1) + error->all(FLERR,"Molecule template ID for fix Widom does not exist"); + if (atom->molecules[imol]->nset > 1 && comm->me == 0) + error->warning(FLERR,"Molecule template for " + "fix Widom has multiple molecules"); + exchmode = EXCHMOL; + onemols = atom->molecules; + nmol = onemols[imol]->nset; + iarg += 2; + } else if (strcmp(arg[iarg],"region") == 0) { + if (iarg+2 > narg) error->all(FLERR,"Illegal fix Widom command"); + iregion = domain->find_region(arg[iarg+1]); + if (iregion == -1) + error->all(FLERR,"Region ID for fix Widom does not exist"); + int n = strlen(arg[iarg+1]) + 1; + idregion = new char[n]; + strcpy(idregion,arg[iarg+1]); + regionflag = 1; + iarg += 2; + } else if (strcmp(arg[iarg],"charge") == 0) { + if (iarg+2 > narg) error->all(FLERR,"Illegal fix Widom command"); + charge = force->numeric(FLERR,arg[iarg+1]); + charge_flag = true; + iarg += 2; + } else if (strcmp(arg[iarg],"full_energy") == 0) { + full_flag = true; + iarg += 1; + } else if (strcmp(arg[iarg],"intra_energy") == 0) { + if (iarg+2 > narg) error->all(FLERR,"Illegal fix Widom command"); + energy_intra = force->numeric(FLERR,arg[iarg+1]); + iarg += 2; + } else error->all(FLERR,"Illegal fix Widom command"); + } +} + +/* ---------------------------------------------------------------------- */ + +FixWidom::~FixWidom() +{ + if (regionflag) delete [] idregion; + delete random_equal; + + memory->destroy(local_gas_list); + memory->destroy(molcoords); + memory->destroy(molq); + memory->destroy(molimage); + +} + +/* ---------------------------------------------------------------------- */ + +int FixWidom::setmask() +{ + int mask = 0; + mask |= PRE_EXCHANGE; + return mask; +} + +/* ---------------------------------------------------------------------- */ + +void FixWidom::init() +{ + + triclinic = domain->triclinic; + + ave_widom_chemical_potential = 0; + + if (regionflag) volume = region_volume; + else volume = domain->xprd * domain->yprd * domain->zprd; + + // decide whether to switch to the full_energy option + if (!full_flag) { + if ((force->kspace) || + (force->pair == NULL) || + (force->pair->single_enable == 0) || + (force->pair_match("hybrid",0)) || + (force->pair_match("eam",0)) || + (force->pair->tail_flag) + ) { + full_flag = true; + if (comm->me == 0) + error->warning(FLERR,"Fix Widom using full_energy option"); + } + } + + if (full_flag) { + char *id_pe = (char *) "thermo_pe"; + int ipe = modify->find_compute(id_pe); + c_pe = modify->compute[ipe]; + } + + int *type = atom->type; + + if (exchmode == EXCHATOM) { + if (nwidom_type <= 0 || nwidom_type > atom->ntypes) + error->all(FLERR,"Invalid atom type in fix Widom command"); + } + + // if molecules are exchanged or moved, check for unset mol IDs + if (exchmode == EXCHMOL) { + tagint *molecule = atom->molecule; + int *mask = atom->mask; + int flag = 0; + for (int i = 0; i < atom->nlocal; i++) + if (mask[i] == groupbit) + if (molecule[i] == 0) flag = 1; + int flagall; + MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world); + if (flagall && comm->me == 0) + error->all(FLERR, + "All mol IDs should be set for fix Widom group atoms"); + } + + if (exchmode == EXCHMOL) + if (atom->molecule_flag == 0 || !atom->tag_enable || !atom->map_style) + error->all(FLERR, + "Fix Widom molecule command requires that " + "atoms have molecule attributes"); + + if (domain->dimension == 2) + error->all(FLERR,"Cannot use fix Widom in a 2d simulation"); + + // create a new group for interaction exclusions + // used for attempted atom or molecule deletions + // skip if already exists from previous init() + + if (full_flag && !exclusion_group_bit) { + char **group_arg = new char*[4]; + + // create unique group name for atoms to be excluded + + int len = strlen(id) + 30; + group_arg[0] = new char[len]; + group_arg[1] = (char *) "subtract"; + group_arg[2] = (char *) "all"; + group_arg[3] = (char *) "all"; + group->assign(4,group_arg); + exclusion_group = group->find(group_arg[0]); + if (exclusion_group == -1) + error->all(FLERR,"Could not find fix Widom exclusion group ID"); + exclusion_group_bit = group->bitmask[exclusion_group]; + + // neighbor list exclusion setup + // turn off interactions between group all and the exclusion group + + int narg = 4; + char **arg = new char*[narg];; + arg[0] = (char *) "exclude"; + arg[1] = (char *) "group"; + arg[2] = group_arg[0]; + arg[3] = (char *) "all"; + neighbor->modify_params(narg,arg); + delete [] group_arg[0]; + delete [] group_arg; + delete [] arg; + } + + // create a new group for temporary use with selected molecules + + if (exchmode == EXCHMOL) { + char **group_arg = new char*[3]; + // create unique group name for atoms to be rotated + int len = strlen(id) + 30; + group_arg[0] = new char[len]; + group_arg[1] = (char *) "molecule"; + char digits[12]; + sprintf(digits,"%d",-1); + group_arg[2] = digits; + group->assign(3,group_arg); + molecule_group = group->find(group_arg[0]); + if (molecule_group == -1) + error->all(FLERR,"Could not find fix Widom rotation group ID"); + molecule_group_bit = group->bitmask[molecule_group]; + molecule_group_inversebit = molecule_group_bit ^ ~0; + delete [] group_arg[0]; + delete [] group_arg; + } + + // get all of the needed molecule data if exchanging + // or moving molecules, otherwise just get the gas mass + + if (exchmode == EXCHMOL) { + + onemols[imol]->compute_mass(); + onemols[imol]->compute_com(); + gas_mass = onemols[imol]->masstotal; + for (int i = 0; i < onemols[imol]->natoms; i++) { + onemols[imol]->x[i][0] -= onemols[imol]->com[0]; + onemols[imol]->x[i][1] -= onemols[imol]->com[1]; + onemols[imol]->x[i][2] -= onemols[imol]->com[2]; + } + onemols[imol]->com[0] = 0; + onemols[imol]->com[1] = 0; + onemols[imol]->com[2] = 0; + + } else gas_mass = atom->mass[nwidom_type]; + + if (gas_mass <= 0.0) + error->all(FLERR,"Illegal fix Widom gas mass <= 0"); + + // check that no deletable atoms are in atom->firstgroup + // deleting such an atom would not leave firstgroup atoms first + + if (atom->firstgroup >= 0) { + int *mask = atom->mask; + int firstgroupbit = group->bitmask[atom->firstgroup]; + + int flag = 0; + for (int i = 0; i < atom->nlocal; i++) + if ((mask[i] == groupbit) && (mask[i] && firstgroupbit)) flag = 1; + + int flagall; + MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world); + + if (flagall) + error->all(FLERR,"Cannot do Widom on atoms in atom_modify first group"); + } + + // compute beta + beta = 1.0/(force->boltz*insertion_temperature); + + imagezero = ((imageint) IMGMAX << IMG2BITS) | + ((imageint) IMGMAX << IMGBITS) | IMGMAX; + + // Current implementation is broken using + // full_flag on molecules on more than one processor. + // Print error if this is the current mode + if (full_flag && (exchmode == EXCHMOL) && comm->nprocs > 1) + error->all(FLERR,"fix Widom does currently not support full_energy option with molecules on more than 1 MPI process."); + +} + +/* ---------------------------------------------------------------------- +------------------------------------------------------------------------- */ + +void FixWidom::pre_exchange() +{ + // just return if should not be called on this timestep + + if (next_reneighbor != update->ntimestep) return; + + ave_widom_chemical_potential = 0.0; + + xlo = domain->boxlo[0]; + xhi = domain->boxhi[0]; + ylo = domain->boxlo[1]; + yhi = domain->boxhi[1]; + zlo = domain->boxlo[2]; + zhi = domain->boxhi[2]; + if (triclinic) { + sublo = domain->sublo_lamda; + subhi = domain->subhi_lamda; + } else { + sublo = domain->sublo; + subhi = domain->subhi; + } + + if (regionflag) volume = region_volume; + else volume = domain->xprd * domain->yprd * domain->zprd; + + if (triclinic) domain->x2lamda(atom->nlocal); + domain->pbc(); + comm->exchange(); + atom->nghost = 0; + comm->borders(); + if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost); + update_gas_atoms_list(); + + if (full_flag) { + energy_stored = energy_full(); + + if (exchmode == EXCHATOM) { + attempt_atomic_insertion_full(); + } else { + attempt_molecule_insertion_full(); + } + + if (triclinic) domain->x2lamda(atom->nlocal); + domain->pbc(); + comm->exchange(); + atom->nghost = 0; + comm->borders(); + if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost); + + } else { + + if (exchmode == EXCHATOM) { + attempt_atomic_insertion(); + } else { + attempt_molecule_insertion(); + } + + } + next_reneighbor = update->ntimestep + nevery; +} + +/* ---------------------------------------------------------------------- +------------------------------------------------------------------------- */ + +void FixWidom::attempt_atomic_insertion() +{ + + double lamda[3]; + double coord[3]; + + for (int imove = 0; imove < ninsertions; imove++) { + + // pick coordinates for insertion point + + if (regionflag) { + int region_attempt = 0; + coord[0] = region_xlo + random_equal->uniform() * (region_xhi-region_xlo); + coord[1] = region_ylo + random_equal->uniform() * (region_yhi-region_ylo); + coord[2] = region_zlo + random_equal->uniform() * (region_zhi-region_zlo); + while (domain->regions[iregion]->match(coord[0],coord[1],coord[2]) == 0) { + coord[0] = region_xlo + random_equal->uniform() * (region_xhi-region_xlo); + coord[1] = region_ylo + random_equal->uniform() * (region_yhi-region_ylo); + coord[2] = region_zlo + random_equal->uniform() * (region_zhi-region_zlo); + region_attempt++; + if (region_attempt >= max_region_attempts) return; + } + if (triclinic) domain->x2lamda(coord,lamda); + } else { + if (triclinic == 0) { + coord[0] = xlo + random_equal->uniform() * (xhi-xlo); + coord[1] = ylo + random_equal->uniform() * (yhi-ylo); + coord[2] = zlo + random_equal->uniform() * (zhi-zlo); + } else { + lamda[0] = random_equal->uniform(); + lamda[1] = random_equal->uniform(); + lamda[2] = random_equal->uniform(); + + // wasteful, but necessary + + if (lamda[0] == 1.0) lamda[0] = 0.0; + if (lamda[1] == 1.0) lamda[1] = 0.0; + if (lamda[2] == 1.0) lamda[2] = 0.0; + + domain->lamda2x(lamda,coord); + } + } + + int proc_flag = 0; + if (triclinic == 0) { + domain->remap(coord); + if (!domain->inside(coord)) + error->one(FLERR,"Fix Widom put atom outside box"); + if (coord[0] >= sublo[0] && coord[0] < subhi[0] && + coord[1] >= sublo[1] && coord[1] < subhi[1] && + coord[2] >= sublo[2] && coord[2] < subhi[2]) proc_flag = 1; + } else { + if (lamda[0] >= sublo[0] && lamda[0] < subhi[0] && + lamda[1] >= sublo[1] && lamda[1] < subhi[1] && + lamda[2] >= sublo[2] && lamda[2] < subhi[2]) proc_flag = 1; + } + + if (proc_flag) { + int ii = -1; + if (charge_flag) { + ii = atom->nlocal + atom->nghost; + if (ii >= atom->nmax) atom->avec->grow(0); + atom->q[ii] = charge; + } + double insertion_energy = energy(ii,nwidom_type,-1,coord); + double inst_chem_pot = exp(-insertion_energy*beta); + double incr_chem_pot = (inst_chem_pot - ave_widom_chemical_potential); + ave_widom_chemical_potential += incr_chem_pot / (imove + 1); + } + + } + +} + +/* ---------------------------------------------------------------------- +------------------------------------------------------------------------- */ + +void FixWidom::attempt_molecule_insertion() +{ + + double lamda[3]; + double com_coord[3]; + double r[3],rotmat[3][3],quat[4]; + + for (int imove = 0; imove < ninsertions; imove++) { + + if (regionflag) { + int region_attempt = 0; + com_coord[0] = region_xlo + random_equal->uniform() * + (region_xhi-region_xlo); + com_coord[1] = region_ylo + random_equal->uniform() * + (region_yhi-region_ylo); + com_coord[2] = region_zlo + random_equal->uniform() * + (region_zhi-region_zlo); + while (domain->regions[iregion]->match(com_coord[0],com_coord[1], + com_coord[2]) == 0) { + com_coord[0] = region_xlo + random_equal->uniform() * + (region_xhi-region_xlo); + com_coord[1] = region_ylo + random_equal->uniform() * + (region_yhi-region_ylo); + com_coord[2] = region_zlo + random_equal->uniform() * + (region_zhi-region_zlo); + region_attempt++; + if (region_attempt >= max_region_attempts) return; + } + if (triclinic) domain->x2lamda(com_coord,lamda); + } else { + if (triclinic == 0) { + com_coord[0] = xlo + random_equal->uniform() * (xhi-xlo); + com_coord[1] = ylo + random_equal->uniform() * (yhi-ylo); + com_coord[2] = zlo + random_equal->uniform() * (zhi-zlo); + } else { + lamda[0] = random_equal->uniform(); + lamda[1] = random_equal->uniform(); + lamda[2] = random_equal->uniform(); + + // wasteful, but necessary + + if (lamda[0] == 1.0) lamda[0] = 0.0; + if (lamda[1] == 1.0) lamda[1] = 0.0; + if (lamda[2] == 1.0) lamda[2] = 0.0; + + domain->lamda2x(lamda,com_coord); + } + } + + // generate point in unit cube + // then restrict to unit sphere + + double rsq = 1.1; + while (rsq > 1.0) { + r[0] = 2.0*random_equal->uniform() - 1.0; + r[1] = 2.0*random_equal->uniform() - 1.0; + r[2] = 2.0*random_equal->uniform() - 1.0; + rsq = MathExtra::dot3(r, r); + } + + double theta = random_equal->uniform() * MY_2PI; + MathExtra::norm3(r); + MathExtra::axisangle_to_quat(r,theta,quat); + MathExtra::quat_to_mat(quat,rotmat); + + double insertion_energy = 0.0; + bool *procflag = new bool[natoms_per_molecule]; + + for (int i = 0; i < natoms_per_molecule; i++) { + MathExtra::matvec(rotmat,onemols[imol]->x[i],molcoords[i]); + molcoords[i][0] += com_coord[0]; + molcoords[i][1] += com_coord[1]; + molcoords[i][2] += com_coord[2]; + + // use temporary variable for remapped position + // so unmapped position is preserved in molcoords + + double xtmp[3]; + xtmp[0] = molcoords[i][0]; + xtmp[1] = molcoords[i][1]; + xtmp[2] = molcoords[i][2]; + domain->remap(xtmp); + if (!domain->inside(xtmp)) + error->one(FLERR,"Fix Widom put atom outside box"); + + procflag[i] = false; + if (triclinic == 0) { + if (xtmp[0] >= sublo[0] && xtmp[0] < subhi[0] && + xtmp[1] >= sublo[1] && xtmp[1] < subhi[1] && + xtmp[2] >= sublo[2] && xtmp[2] < subhi[2]) procflag[i] = true; + } else { + domain->x2lamda(xtmp,lamda); + if (lamda[0] >= sublo[0] && lamda[0] < subhi[0] && + lamda[1] >= sublo[1] && lamda[1] < subhi[1] && + lamda[2] >= sublo[2] && lamda[2] < subhi[2]) procflag[i] = true; + } + + if (procflag[i]) { + int ii = -1; + if (onemols[imol]->qflag == 1) { + ii = atom->nlocal + atom->nghost; + if (ii >= atom->nmax) atom->avec->grow(0); + atom->q[ii] = onemols[imol]->q[i]; + } + insertion_energy += energy(ii,onemols[imol]->type[i],-1,xtmp); + } + } + + double insertion_energy_sum = 0.0; + MPI_Allreduce(&insertion_energy,&insertion_energy_sum,1, + MPI_DOUBLE,MPI_SUM,world); + + // the insertion_energy_sum is the variable with the energy of inserting one molecule + double inst_chem_pot = exp(-insertion_energy_sum*beta); + double incr_chem_pot = (inst_chem_pot - ave_widom_chemical_potential); + ave_widom_chemical_potential += incr_chem_pot / (imove + 1); + + + delete[] procflag; + + } + +} + +/* ---------------------------------------------------------------------- +------------------------------------------------------------------------- */ + +void FixWidom::attempt_atomic_insertion_full() +{ + + double lamda[3]; + double coord[3]; + + for (int imove = 0; imove < ninsertions; imove++) { + + if (regionflag) { + int region_attempt = 0; + coord[0] = region_xlo + random_equal->uniform() * (region_xhi-region_xlo); + coord[1] = region_ylo + random_equal->uniform() * (region_yhi-region_ylo); + coord[2] = region_zlo + random_equal->uniform() * (region_zhi-region_zlo); + while (domain->regions[iregion]->match(coord[0],coord[1],coord[2]) == 0) { + coord[0] = region_xlo + random_equal->uniform() * (region_xhi-region_xlo); + coord[1] = region_ylo + random_equal->uniform() * (region_yhi-region_ylo); + coord[2] = region_zlo + random_equal->uniform() * (region_zhi-region_zlo); + region_attempt++; + if (region_attempt >= max_region_attempts) return; + } + if (triclinic) domain->x2lamda(coord,lamda); + } else { + if (triclinic == 0) { + coord[0] = xlo + random_equal->uniform() * (xhi-xlo); + coord[1] = ylo + random_equal->uniform() * (yhi-ylo); + coord[2] = zlo + random_equal->uniform() * (zhi-zlo); + } else { + lamda[0] = random_equal->uniform(); + lamda[1] = random_equal->uniform(); + lamda[2] = random_equal->uniform(); + + // wasteful, but necessary + + if (lamda[0] == 1.0) lamda[0] = 0.0; + if (lamda[1] == 1.0) lamda[1] = 0.0; + if (lamda[2] == 1.0) lamda[2] = 0.0; + + domain->lamda2x(lamda,coord); + } + } + + int proc_flag = 0; + if (triclinic == 0) { + domain->remap(coord); + if (!domain->inside(coord)) + error->one(FLERR,"Fix Widom put atom outside box"); + if (coord[0] >= sublo[0] && coord[0] < subhi[0] && + coord[1] >= sublo[1] && coord[1] < subhi[1] && + coord[2] >= sublo[2] && coord[2] < subhi[2]) proc_flag = 1; + } else { + if (lamda[0] >= sublo[0] && lamda[0] < subhi[0] && + lamda[1] >= sublo[1] && lamda[1] < subhi[1] && + lamda[2] >= sublo[2] && lamda[2] < subhi[2]) proc_flag = 1; + } + + if (proc_flag) { + atom->avec->create_atom(nwidom_type,coord); + int m = atom->nlocal - 1; + + // add to groups + // optionally add to type-based groups + + atom->v[m][0] = 0; + atom->v[m][1] = 0; + atom->v[m][2] = 0; + if (charge_flag) atom->q[m] = charge; + modify->create_attribute(m); + } + + atom->natoms++; + if (atom->tag_enable) { + atom->tag_extend(); + if (atom->map_style) atom->map_init(); + } + atom->nghost = 0; + if (triclinic) domain->x2lamda(atom->nlocal); + comm->borders(); + if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost); + if (force->kspace) force->kspace->qsum_qsq(); + if (force->pair->tail_flag) force->pair->reinit(); + + double insertion_energy = energy_full() - energy_stored; + double inst_chem_pot = exp(-insertion_energy*beta); + double incr_chem_pot = (inst_chem_pot - ave_widom_chemical_potential); + ave_widom_chemical_potential += incr_chem_pot / (imove + 1); + + atom->natoms--; + if (proc_flag) atom->nlocal--; + if (force->kspace) force->kspace->qsum_qsq(); + if (force->pair->tail_flag) force->pair->reinit(); + + update_gas_atoms_list(); + + } + +} + +/* ---------------------------------------------------------------------- +------------------------------------------------------------------------- */ + +void FixWidom::attempt_molecule_insertion_full() +{ + + double lamda[3]; + + tagint maxmol = 0; + for (int i = 0; i < atom->nlocal; i++) maxmol = MAX(maxmol,atom->molecule[i]); + tagint maxmol_all; + MPI_Allreduce(&maxmol,&maxmol_all,1,MPI_LMP_TAGINT,MPI_MAX,world); + maxmol_all++; + if (maxmol_all >= MAXTAGINT) + error->all(FLERR,"Fix Widom ran out of available molecule IDs"); + int insertion_molecule = maxmol_all; + + tagint maxtag = 0; + for (int i = 0; i < atom->nlocal; i++) maxtag = MAX(maxtag,atom->tag[i]); + tagint maxtag_all; + MPI_Allreduce(&maxtag,&maxtag_all,1,MPI_LMP_TAGINT,MPI_MAX,world); + + for (int imove = 0; imove < ninsertions; imove++) { + + int nlocalprev = atom->nlocal; + + double com_coord[3]; + if (regionflag) { + int region_attempt = 0; + com_coord[0] = region_xlo + random_equal->uniform() * + (region_xhi-region_xlo); + com_coord[1] = region_ylo + random_equal->uniform() * + (region_yhi-region_ylo); + com_coord[2] = region_zlo + random_equal->uniform() * + (region_zhi-region_zlo); + while (domain->regions[iregion]->match(com_coord[0],com_coord[1], + com_coord[2]) == 0) { + com_coord[0] = region_xlo + random_equal->uniform() * + (region_xhi-region_xlo); + com_coord[1] = region_ylo + random_equal->uniform() * + (region_yhi-region_ylo); + com_coord[2] = region_zlo + random_equal->uniform() * + (region_zhi-region_zlo); + region_attempt++; + if (region_attempt >= max_region_attempts) return; + } + if (triclinic) domain->x2lamda(com_coord,lamda); + } else { + if (triclinic == 0) { + com_coord[0] = xlo + random_equal->uniform() * (xhi-xlo); + com_coord[1] = ylo + random_equal->uniform() * (yhi-ylo); + com_coord[2] = zlo + random_equal->uniform() * (zhi-zlo); + } else { + lamda[0] = random_equal->uniform(); + lamda[1] = random_equal->uniform(); + lamda[2] = random_equal->uniform(); + + // wasteful, but necessary + + if (lamda[0] == 1.0) lamda[0] = 0.0; + if (lamda[1] == 1.0) lamda[1] = 0.0; + if (lamda[2] == 1.0) lamda[2] = 0.0; + + domain->lamda2x(lamda,com_coord); + } + + } + + // generate point in unit cube + // then restrict to unit sphere + + double r[3],rotmat[3][3],quat[4]; + double rsq = 1.1; + while (rsq > 1.0) { + r[0] = 2.0*random_equal->uniform() - 1.0; + r[1] = 2.0*random_equal->uniform() - 1.0; + r[2] = 2.0*random_equal->uniform() - 1.0; + rsq = MathExtra::dot3(r, r); + } + + double theta = random_equal->uniform() * MY_2PI; + MathExtra::norm3(r); + MathExtra::axisangle_to_quat(r,theta,quat); + MathExtra::quat_to_mat(quat,rotmat); + + for (int i = 0; i < natoms_per_molecule; i++) { + double xtmp[3]; + MathExtra::matvec(rotmat,onemols[imol]->x[i],xtmp); + xtmp[0] += com_coord[0]; + xtmp[1] += com_coord[1]; + xtmp[2] += com_coord[2]; + + // need to adjust image flags in remap() + + imageint imagetmp = imagezero; + domain->remap(xtmp,imagetmp); + if (!domain->inside(xtmp)) + error->one(FLERR,"Fix Widom put atom outside box"); + + int proc_flag = 0; + if (triclinic == 0) { + if (xtmp[0] >= sublo[0] && xtmp[0] < subhi[0] && + xtmp[1] >= sublo[1] && xtmp[1] < subhi[1] && + xtmp[2] >= sublo[2] && xtmp[2] < subhi[2]) proc_flag = 1; + } else { + domain->x2lamda(xtmp,lamda); + if (lamda[0] >= sublo[0] && lamda[0] < subhi[0] && + lamda[1] >= sublo[1] && lamda[1] < subhi[1] && + lamda[2] >= sublo[2] && lamda[2] < subhi[2]) proc_flag = 1; + } + + if (proc_flag) { + atom->avec->create_atom(onemols[imol]->type[i],xtmp); + int m = atom->nlocal - 1; + + atom->image[m] = imagetmp; + atom->molecule[m] = insertion_molecule; + if (maxtag_all+i+1 >= MAXTAGINT) + error->all(FLERR,"Fix Widom ran out of available atom IDs"); + atom->tag[m] = maxtag_all + i + 1; + atom->v[m][0] = 0; + atom->v[m][1] = 0; + atom->v[m][2] = 0; + + atom->add_molecule_atom(onemols[imol],i,m,maxtag_all); + modify->create_attribute(m); + } + } + + atom->natoms += natoms_per_molecule; + if (atom->natoms < 0) + error->all(FLERR,"Too many total atoms"); + atom->nbonds += onemols[imol]->nbonds; + atom->nangles += onemols[imol]->nangles; + atom->ndihedrals += onemols[imol]->ndihedrals; + atom->nimpropers += onemols[imol]->nimpropers; + if (atom->map_style) atom->map_init(); + atom->nghost = 0; + if (triclinic) domain->x2lamda(atom->nlocal); + comm->borders(); + if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost); + if (force->kspace) force->kspace->qsum_qsq(); + if (force->pair->tail_flag) force->pair->reinit(); + + // energy_after corrected by energy_intra + double insertion_energy = (energy_full() -energy_intra) - energy_stored; + double inst_chem_pot = exp(-insertion_energy*beta); + double incr_chem_pot = (inst_chem_pot - ave_widom_chemical_potential); + ave_widom_chemical_potential += incr_chem_pot / (imove + 1); + + atom->nbonds -= onemols[imol]->nbonds; + atom->nangles -= onemols[imol]->nangles; + atom->ndihedrals -= onemols[imol]->ndihedrals; + atom->nimpropers -= onemols[imol]->nimpropers; + atom->natoms -= natoms_per_molecule; + + int i = 0; + while (i < atom->nlocal) { + if (atom->molecule[i] == insertion_molecule) { + atom->avec->copy(atom->nlocal-1,i,1); + atom->nlocal--; + } else i++; + } + if (force->kspace) force->kspace->qsum_qsq(); + if (force->pair->tail_flag) force->pair->reinit(); + + update_gas_atoms_list(); + + } + +} + +/* ---------------------------------------------------------------------- + compute particle's interaction energy with the rest of the system +------------------------------------------------------------------------- */ + +double FixWidom::energy(int i, int itype, tagint imolecule, double *coord) +{ + double delx,dely,delz,rsq; + + double **x = atom->x; + int *type = atom->type; + tagint *molecule = atom->molecule; + int nall = atom->nlocal + atom->nghost; + pair = force->pair; + cutsq = force->pair->cutsq; + + double fpair = 0.0; + double factor_coul = 1.0; + double factor_lj = 1.0; + + double total_energy = 0.0; + + for (int j = 0; j < nall; j++) { + + if (i == j) continue; + if (exchmode == EXCHMOL) + if (imolecule == molecule[j]) continue; + + delx = coord[0] - x[j][0]; + dely = coord[1] - x[j][1]; + delz = coord[2] - x[j][2]; + rsq = delx*delx + dely*dely + delz*delz; + int jtype = type[j]; + + if (rsq < cutsq[itype][jtype]) + total_energy += + pair->single(i,j,itype,jtype,rsq,factor_coul,factor_lj,fpair); + } + + return total_energy; +} + +/* ---------------------------------------------------------------------- + compute the energy of the given gas molecule in its current position + sum across all procs that own atoms of the given molecule +------------------------------------------------------------------------- */ + +double FixWidom::molecule_energy(tagint gas_molecule_id) +{ + double mol_energy = 0.0; + for (int i = 0; i < atom->nlocal; i++) + if (atom->molecule[i] == gas_molecule_id) { + mol_energy += energy(i,atom->type[i],gas_molecule_id,atom->x[i]); + } + + double mol_energy_sum = 0.0; + MPI_Allreduce(&mol_energy,&mol_energy_sum,1,MPI_DOUBLE,MPI_SUM,world); + + return mol_energy_sum; +} + +/* ---------------------------------------------------------------------- + compute system potential energy +------------------------------------------------------------------------- */ + +double FixWidom::energy_full() +{ + int imolecule; + + if (triclinic) domain->x2lamda(atom->nlocal); + domain->pbc(); + comm->exchange(); + atom->nghost = 0; + comm->borders(); + if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost); + if (modify->n_pre_neighbor) modify->pre_neighbor(); + neighbor->build(1); + int eflag = 1; + int vflag = 0; + + // clear forces so they don't accumulate over multiple + // calls within fix widom timestep + + size_t nbytes = sizeof(double) * (atom->nlocal + atom->nghost); + if (nbytes) memset(&atom->f[0][0],0,3*nbytes); + + if (modify->n_pre_force) modify->pre_force(vflag); + + if (force->pair) force->pair->compute(eflag,vflag); + + if (atom->molecular) { + if (force->bond) force->bond->compute(eflag,vflag); + if (force->angle) force->angle->compute(eflag,vflag); + if (force->dihedral) force->dihedral->compute(eflag,vflag); + if (force->improper) force->improper->compute(eflag,vflag); + } + + if (force->kspace) force->kspace->compute(eflag,vflag); + + // unlike Verlet, not performing a reverse_comm() or forces here + // b/c Widom does not care about forces + // don't think it will mess up energy due to any post_force() fixes + + if (modify->n_pre_force) modify->pre_force(vflag); + if (modify->n_end_of_step) modify->end_of_step(); + + // NOTE: all fixes with THERMO_ENERGY mask set and which + // operate at pre_force() or post_force() or end_of_step() + // and which user has enable via fix_modify thermo yes, + // will contribute to total MC energy via pe->compute_scalar() + + update->eflag_global = update->ntimestep; + double total_energy = c_pe->compute_scalar(); + + return total_energy; +} + +/* ---------------------------------------------------------------------- + update the list of gas atoms +------------------------------------------------------------------------- */ + +void FixWidom::update_gas_atoms_list() +{ + int nlocal = atom->nlocal; + int *mask = atom->mask; + tagint *molecule = atom->molecule; + double **x = atom->x; + + if (atom->nmax > widom_nmax) { + memory->sfree(local_gas_list); + widom_nmax = atom->nmax; + local_gas_list = (int *) memory->smalloc(widom_nmax*sizeof(int), + "Widom:local_gas_list"); + } + + ngas_local = 0; + + if (regionflag) { + + if (exchmode == EXCHMOL) { + + tagint maxmol = 0; + for (int i = 0; i < nlocal; i++) maxmol = MAX(maxmol,molecule[i]); + tagint maxmol_all; + MPI_Allreduce(&maxmol,&maxmol_all,1,MPI_LMP_TAGINT,MPI_MAX,world); + double *comx = new double[maxmol_all]; + double *comy = new double[maxmol_all]; + double *comz = new double[maxmol_all]; + for (int imolecule = 0; imolecule < maxmol_all; imolecule++) { + for (int i = 0; i < nlocal; i++) { + if (molecule[i] == imolecule) { + mask[i] |= molecule_group_bit; + } else { + mask[i] &= molecule_group_inversebit; + } + } + double com[3]; + com[0] = com[1] = com[2] = 0.0; + group->xcm(molecule_group,gas_mass,com); + + // remap unwrapped com into periodic box + + domain->remap(com); + comx[imolecule] = com[0]; + comy[imolecule] = com[1]; + comz[imolecule] = com[2]; + } + + for (int i = 0; i < nlocal; i++) { + if (mask[i] & groupbit) { + if (domain->regions[iregion]->match(comx[molecule[i]], + comy[molecule[i]],comz[molecule[i]]) == 1) { + local_gas_list[ngas_local] = i; + ngas_local++; + } + } + } + delete[] comx; + delete[] comy; + delete[] comz; + } else { + for (int i = 0; i < nlocal; i++) { + if (mask[i] & groupbit) { + if (domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]) == 1) { + local_gas_list[ngas_local] = i; + ngas_local++; + } + } + } + } + + } else { + for (int i = 0; i < nlocal; i++) { + if (mask[i] & groupbit) { + local_gas_list[ngas_local] = i; + ngas_local++; + } + } + } + + MPI_Allreduce(&ngas_local,&ngas,1,MPI_INT,MPI_SUM,world); +} + +/* ---------------------------------------------------------------------- + return acceptance ratios +------------------------------------------------------------------------- */ + +double FixWidom::compute_vector(int n) +{ + + if (n == 0) return -log(ave_widom_chemical_potential)/beta; + if (n == 1) return ave_widom_chemical_potential; + if (n == 2) return volume; + return 0.0; +} + +/* ---------------------------------------------------------------------- + memory usage of local atom-based arrays +------------------------------------------------------------------------- */ + +double FixWidom::memory_usage() +{ + double bytes = widom_nmax * sizeof(int); + return bytes; +} + +/* ---------------------------------------------------------------------- + pack entire state of Fix into one write +------------------------------------------------------------------------- */ + +void FixWidom::write_restart(FILE *fp) +{ + int n = 0; + double list[3]; + list[n++] = random_equal->state(); + list[n++] = next_reneighbor; + + if (comm->me == 0) { + int size = n * sizeof(double); + fwrite(&size,sizeof(int),1,fp); + fwrite(list,sizeof(double),n,fp); + } +} + +/* ---------------------------------------------------------------------- + use state info from restart file to restart the Fix +------------------------------------------------------------------------- */ + +void FixWidom::restart(char *buf) +{ + int n = 0; + double *list = (double *) buf; + + seed = static_cast (list[n++]); + random_equal->reset(seed); + + seed = static_cast (list[n++]); + + next_reneighbor = static_cast (list[n++]); +} + +void FixWidom::grow_molecule_arrays(int nmolatoms) { + nmaxmolatoms = nmolatoms; + molcoords = memory->grow(molcoords,nmaxmolatoms,3,"widom:molcoords"); + molq = memory->grow(molq,nmaxmolatoms,"widom:molq"); + molimage = memory->grow(molimage,nmaxmolatoms,"widom:molimage"); +} diff --git a/src/USER-MISC/fix_widom.h b/src/USER-MISC/fix_widom.h new file mode 100644 index 0000000000..8dd77df28c --- /dev/null +++ b/src/USER-MISC/fix_widom.h @@ -0,0 +1,257 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef FIX_CLASS + +FixStyle(widom,FixWidom) + +#else + +#ifndef LMP_FIX_WIDOM_H +#define LMP_FIX_WIDOM_H + +#include +#include "fix.h" + +namespace LAMMPS_NS { + +class FixWidom : public Fix { + public: + FixWidom(class LAMMPS *, int, char **); + ~FixWidom(); + int setmask(); + void init(); + void pre_exchange(); + + void attempt_atomic_insertion(); + void attempt_molecule_insertion(); + + void attempt_atomic_insertion_full(); + void attempt_molecule_insertion_full(); + double energy(int, int, tagint, double *); + double molecule_energy(tagint); + double energy_full(); + void update_gas_atoms_list(); + double compute_vector(int); + double memory_usage(); + void write_restart(FILE *); + void restart(char *); + void grow_molecule_arrays(int); + + private: + int molecule_group,molecule_group_bit; + int molecule_group_inversebit; + int exclusion_group,exclusion_group_bit; + int nwidom_type,nevery,seed; + int ninsertions; + int ngas; // # of gas atoms on all procs + int ngas_local; // # of gas atoms on this proc + int exchmode; // exchange ATOM or MOLECULE + int movemode; // move ATOM or MOLECULE + int regionflag; // 0 = anywhere in box, 1 = specific region + int iregion; // widom region + char *idregion; // widom region id + bool charge_flag; // true if user specified atomic charge + bool full_flag; // true if doing full system energy calculations + + int natoms_per_molecule; // number of atoms in each inserted molecule + int nmaxmolatoms; // number of atoms allocated for molecule arrays + + double ave_widom_chemical_potential; + + int widom_nmax; + int max_region_attempts; + double gas_mass; + double insertion_temperature; + double beta,sigma,volume; + double charge; + double xlo,xhi,ylo,yhi,zlo,zhi; + double region_xlo,region_xhi,region_ylo,region_yhi,region_zlo,region_zhi; + double region_volume; + double energy_stored; // full energy of old/current configuration + double *sublo,*subhi; + int *local_gas_list; + double **cutsq; + double **molcoords; + double *molq; + imageint *molimage; + imageint imagezero; + + double energy_intra; + + class Pair *pair; + + class RanPark *random_equal; + + class Atom *model_atom; + + class Molecule **onemols; + int imol,nmol; + int triclinic; // 0 = orthog box, 1 = triclinic + + class Compute *c_pe; + + void options(int, char **); +}; + +} + +#endif +#endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. + +E: Fix Widom does not (yet) work with atom_style template + +Self-explanatory. + +E: Fix Widom region does not support a bounding box + +Not all regions represent bounded volumes. You cannot use +such a region with the fix Widom command. + +E: Fix Widom region cannot be dynamic + +Only static regions can be used with fix Widom. + +E: Fix Widom region extends outside simulation box + +Self-explanatory. + +E: Fix Widom molecule must have coordinates + +The defined molecule does not specify coordinates. + +E: Fix Widom molecule must have atom types + +The defined molecule does not specify atom types. + +E: Atom type must be zero in fix Widom mol command + +Self-explanatory. + +E: Fix Widom molecule has charges, but atom style does not + +Self-explanatory. + +E: Fix Widom molecule template ID must be same as atom_style template ID + +When using atom_style template, you cannot insert molecules that are +not in that template. + +E: Fix Widom atom has charge, but atom style does not + +Self-explanatory. + +UNDOCUMENTED + +E: Molecule template ID for fix Widom does not exist + +Self-explanatory. + +W: Molecule template for fix Widom has multiple molecules + +The fix Widom command will only create molecules of a single type, +i.e. the first molecule in the template. + +E: Region ID for fix Widom does not exist + +Self-explanatory. + +W: Fix Widom using full_energy option + +Fix Widom has automatically turned on the full_energy option since it +is required for systems like the one specified by the user. User input +included one or more of the following: kspace, a hybrid +pair style, an eam pair style, tail correction, +or no "single" function for the pair style. + +E: Invalid atom type in fix Widom command + +The atom type specified in the Widom command does not exist. + +E: Fix Widom cannot exchange individual atoms belonging to a molecule + +This is an error since you should not delete only one atom of a +molecule. The user has specified atomic (non-molecular) gas +exchanges, but an atom belonging to a molecule could be deleted. + +E: All mol IDs should be set for fix Widom group atoms + +The molecule flag is on, yet not all molecule ids in the fix group +have been set to non-zero positive values by the user. This is an +error since all atoms in the fix Widom group are eligible for deletion, +rotation, and translation and therefore must have valid molecule ids. + +E: Fix Widom molecule command requires that atoms have molecule attributes + +Should not choose the Widom molecule feature if no molecules are being +simulated. The general molecule flag is off, but Widom's molecule flag +is on. + +E: Cannot use fix Widom in a 2d simulation + +Fix Widom is set up to run in 3d only. No 2d simulations with fix Widom +are allowed. + +E: Could not find fix Widom exclusion group ID + +Self-explanatory. + +E: Illegal fix Widom gas mass <= 0 + +The computed mass of the designated gas molecule or atom type was less +than or equal to zero. + +E: Cannot do Widom on atoms in atom_modify first group + +This is a restriction due to the way atoms are organized in a list to +enable the atom_modify first command. + +W: Fix Widom is being applied to the default group all + +This is allowed, but it will result in Monte Carlo moves +being performed on all the atoms in the system, which is +often not what is intended. + +E: Could not find specified fix Widom group ID + +Self-explanatory. + +E: fix Widom does currently not support full_energy option with molecules on more than 1 MPI process. + +UNDOCUMENTED + +E: Fix Widom put atom outside box + +This should not normally happen. Contact the developers. + +E: Fix Widom ran out of available molecule IDs + +See the setting for tagint in the src/lmptype.h file. + +E: Fix Widom ran out of available atom IDs + +See the setting for tagint in the src/lmptype.h file. + +E: Too many total atoms + +See the setting for bigint in the src/lmptype.h file. + +*/ From 41a7557cc93d7bd1a48f12a8d08f779f8b40286e Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Wed, 15 Jul 2020 18:53:04 +0200 Subject: [PATCH 02/15] first attempt of a documentation file --- doc/src/fix_widom.rst | 224 ++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 224 insertions(+) create mode 100644 doc/src/fix_widom.rst diff --git a/doc/src/fix_widom.rst b/doc/src/fix_widom.rst new file mode 100644 index 0000000000..8cf36b6f26 --- /dev/null +++ b/doc/src/fix_widom.rst @@ -0,0 +1,224 @@ +.. index:: fix widom + +fix widom command +================= + +Syntax +"""""" + +.. parsed-literal:: + + fix ID group-ID widom N M type seed T keyword values ... + +* ID, group-ID are documented in :doc:`fix ` command +* widom = style name of this fix command +* N = invoke this fix every N steps +* M = number of Widom insertions to attempt every N steps +* type = atom type for inserted atoms (must be 0 if mol keyword used) +* seed = random # seed (positive integer) +* T = temperature of the system (temperature units) +* zero or more keyword/value pairs may be appended to args + + .. parsed-literal:: + + keyword = *mol*\ , *region*\ , *full_energy*, *charge*\ , *intra_energy* + *mol* value = template-ID + template-ID = ID of molecule template specified in a separate :doc:`molecule ` command + *region* value = region-ID + region-ID = ID of region where Widom insertions are allowed + *full_energy* = compute the entire system energy when performing Widom insertions + *charge* value = charge of inserted atoms (charge units) + *intra_energy* value = intramolecular energy (energy units) + +Examples +"""""""" + +.. code-block:: LAMMPS + + fix 2 gas widom 1 50000 1 19494 2.0 + fix 3 water widom 1000 100 0 29494 300.0 mol h2omol full_energy + +Description +""""""""""" + +This fix performs Widom insertions of +atoms or molecules at the given temperature as discussed +in :ref:`(Frenkel) `. Specific uses include computation of Henry constants +of small molecules in microporous materials or amorphous systems. + + +Every N timesteps the fix attempts M number of Widom insertions of atoms or molecules. + +If the *mol* keyword is used, only molecule insertions are performed. +Conversely, if the *mol* keyword is not used, only atom insertions are performed. + +This command may optionally use the *region* keyword to define an +insertion volume. The specified region must have been +previously defined with a :doc:`region ` command. It must be +defined with side = *in*\ . Insertion attempts occur only within the +specified region. For non-rectangular regions, random trial points are +generated within the rectangular bounding box until a point is found +that lies inside the region. If no valid point is generated after 1000 +trials, no insertion is performed. If an attempted insertion places the atom or molecule +center-of-mass outside the specified region, a new attempted insertion is +generated. This process is repeated until the atom or molecule +center-of-mass is inside the specified region. + +Note that neighbor lists are re-built every timestep that this fix is +invoked, so you should not set N to be too small. See +the :doc:`neighbor ` command for details. + +When an atom or molecule is to be inserted, its coordinates are chosen +at a random position within the current simulation cell or regionRelative coordinates for atoms in a +molecule are taken from the template molecule provided by the +user. The center of mass of the molecule is placed at the insertion +point. The orientation of the molecule is chosen at random by rotating +about this point. + +Individual atoms are inserted, unless the *mol* keyword is used. It +specifies a *template-ID* previously defined using the +:doc:`molecule ` command, which reads a file that defines the +molecule. The coordinates, atom types, charges, etc., as well as any +bonding and special neighbor information for the molecule can +be specified in the molecule file. See the :doc:`molecule ` +command for details. The only settings required to be in this file +are the coordinates and types of atoms in the molecule. + +If you wish to insert molecules via the *mol* keyword, that will have +their bonds or angles constrained via SHAKE, use the *shake* keyword, +specifying as its value the ID of a separate :doc:`fix shake ` command which also appears in your input script. + +Note that fix widom does not use configurational bias MC or any other +kind of sampling of intramolecular degrees of freedom. Inserted +molecules can have different orientations, but they will all have the +same intramolecular configuration, which was specified in the molecule +command input. + +For atoms, inserted particles have the specified atom type. +For molecules, they use the same atom types as in the template molecule supplied +by the user. + +The excess chemical potential mu_ex is defined as: + +.. math:: + + \mu_{ex} = -kT \ln(<\exp(-(U_{N+1}-U_{N})/{kT})>) + +where *k* is Boltzman's constant, *T* is the user-specified temperature, U_N and U_{N+1} +is the potential energy of the system with N and N+1 particles. + +The *full_energy* option means that the fix calculates the total +potential energy of the entire simulated system, instead of just +the energy of the part that is changed. By default, this option is off, +in which case only +partial energies are computed to determine the energy difference +due to the proposed change. + +The *full_energy* option is needed for systems with complicated +potential energy calculations, including the following: + +* long-range electrostatics (kspace) +* many-body pair styles +* hybrid pair styles +* eam pair styles +* tail corrections +* need to include potential energy contributions from other fixes + +In these cases, LAMMPS will automatically apply the *full_energy* +keyword and issue a warning message. + +When the *mol* keyword is used, the *full_energy* option also includes +the intramolecular energy of inserted and deleted molecules, whereas +this energy is not included when *full_energy* is not used. If this +is not desired, the *intra_energy* keyword can be used to define an +amount of energy that is subtracted from the final energy when a +molecule is inserted, and subtracted from the initial energy when a molecule +is deleted. For molecules that have a non-zero intramolecular energy, +this will ensure roughly the same behavior whether or not the +*full_energy* option is used. + + +Some fixes have an associated potential energy. Examples of such fixes +include: :doc:`efield `, :doc:`gravity `, +:doc:`addforce `, +:doc:`restrain `, + and :doc:`wall fixes `. +For that energy to be included in the total potential energy of the +system (the quantity used when performing Widom insertions), +you MUST enable +the :doc:`fix_modify ` *energy* option for that fix. The +doc pages for individual :doc:`fix ` commands specify if this +should be done. + +Use the *charge* option to insert atoms with a user-specified point +charge. Note that doing so will cause the system to become +non-neutral. LAMMPS issues a warning when using long-range +electrostatics (kspace) with non-neutral systems. See the :doc:`compute group/group ` documentation for more details +about simulating non-neutral systems with kspace on. + +**Restart, fix_modify, output, run start/stop, minimize info:** + +This fix writes the state of the fix to :doc:`binary restart files `. This includes information about the random +number generator seed, the next timestep for Widom inserions etc. See +the :doc:`read_restart ` command for info on how to +re-specify a fix in an input script that reads a restart file, so that +the operation of the fix continues in an uninterrupted fashion. + +.. note:: + + For this to work correctly, the timestep must **not** be changed + after reading the restart with :doc:`reset_timestep `. + The fix will try to detect it and stop with an error. + +None of the :doc:`fix_modify ` options are relevant to this +fix. + +This fix computes a global vector of length 3, which can be accessed +by various :doc:`output commands `. The vector values are +the following global cumulative quantities: + +* 1 = average excess chemical potential on each timestep +* 2 = average difference in potential energy on each timestep +* 3 = volume of the insertion region + +The vector values calculated by this fix are "extensive". + +No parameter of this fix can be used with the *start/stop* keywords of +the :doc:`run ` command. This fix is not invoked during :doc:`energy minimization `. + +Restrictions +"""""""""""" + +This fix is part of the USER-MISC package. It is only enabled if LAMMPS was +built with that package. See the :doc:`Build package ` +doc page for more info. + +Do not set "neigh_modify once yes" or else this fix will never be +called. Reneighboring is required. + +Can be run in parallel, but aspects of the GCMC part will not scale +well in parallel. Only usable for 3D simulations. + + +Related commands +"""""""""""""""" + +:doc:`fix gcmc ` +:doc:`fix atom/swap `, +:doc:`neighbor `, +:doc:`fix deposit `, :doc:`fix evaporate `, + + +Default +""""""" + +The option defaults are mol = no, intra_energy = 0.0 and full_energy = no, +except for the situations where full_energy is required, as +listed above. + +---------- + +.. _Frenkel: + +**(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, +Academic Press, London, 2002. From 1a738f80e2d4fe465d2a012014ffb3d0d969f6b3 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Wed, 15 Jul 2020 20:14:17 +0200 Subject: [PATCH 03/15] Update false_positives.txt --- doc/utils/sphinx-config/false_positives.txt | 2 ++ 1 file changed, 2 insertions(+) diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 682969714c..7e37f43089 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -3244,6 +3244,8 @@ whitesmoke whitespace Wi Wicaksono +Widom +widom Wijk Wikipedia wildcard From 28ee83510375e0d38b7af3a240e3e56afe050bc8 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Wed, 15 Jul 2020 20:35:15 +0200 Subject: [PATCH 04/15] Update fix_widom.rst --- doc/src/fix_widom.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/src/fix_widom.rst b/doc/src/fix_widom.rst index 8cf36b6f26..4ad48c119d 100644 --- a/doc/src/fix_widom.rst +++ b/doc/src/fix_widom.rst @@ -159,7 +159,7 @@ about simulating non-neutral systems with kspace on. **Restart, fix_modify, output, run start/stop, minimize info:** This fix writes the state of the fix to :doc:`binary restart files `. This includes information about the random -number generator seed, the next timestep for Widom inserions etc. See +number generator seed, the next timestep for Widom insertions etc. See the :doc:`read_restart ` command for info on how to re-specify a fix in an input script that reads a restart file, so that the operation of the fix continues in an uninterrupted fashion. From 581d47a10a068eb8f14cfd7fa70d3d8f21fc922c Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 15 Jul 2020 20:46:31 -0400 Subject: [PATCH 05/15] move fix widom from USER-MISC to MC package --- doc/src/fix_widom.rst | 2 +- src/{USER-MISC => MC}/fix_widom.cpp | 0 src/{USER-MISC => MC}/fix_widom.h | 0 3 files changed, 1 insertion(+), 1 deletion(-) rename src/{USER-MISC => MC}/fix_widom.cpp (100%) rename src/{USER-MISC => MC}/fix_widom.h (100%) diff --git a/doc/src/fix_widom.rst b/doc/src/fix_widom.rst index 4ad48c119d..dd18bad3b2 100644 --- a/doc/src/fix_widom.rst +++ b/doc/src/fix_widom.rst @@ -189,7 +189,7 @@ the :doc:`run ` command. This fix is not invoked during :doc:`energy minim Restrictions """""""""""" -This fix is part of the USER-MISC package. It is only enabled if LAMMPS was +This fix is part of the MC package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. diff --git a/src/USER-MISC/fix_widom.cpp b/src/MC/fix_widom.cpp similarity index 100% rename from src/USER-MISC/fix_widom.cpp rename to src/MC/fix_widom.cpp diff --git a/src/USER-MISC/fix_widom.h b/src/MC/fix_widom.h similarity index 100% rename from src/USER-MISC/fix_widom.h rename to src/MC/fix_widom.h From 3287f1cddc31ac9ce34f57c3d12001059628fb85 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 15 Jul 2020 20:54:17 -0400 Subject: [PATCH 06/15] fully integrate fix widom into manual. fix some style issues and reindent --- doc/src/Commands_fix.rst | 1 + doc/src/fix.rst | 1 + doc/src/fix_widom.rst | 159 ++++++++++++++++++++------------------- 3 files changed, 83 insertions(+), 78 deletions(-) diff --git a/doc/src/Commands_fix.rst b/doc/src/Commands_fix.rst index 1f42d3530d..0ff4f9ac69 100644 --- a/doc/src/Commands_fix.rst +++ b/doc/src/Commands_fix.rst @@ -243,3 +243,4 @@ OPT. * :doc:`wall/region ` * :doc:`wall/region/ees ` * :doc:`wall/srd ` + * :doc:`widom ` diff --git a/doc/src/fix.rst b/doc/src/fix.rst index 2b7720716d..023e60a40e 100644 --- a/doc/src/fix.rst +++ b/doc/src/fix.rst @@ -386,6 +386,7 @@ accelerated styles exist. * :doc:`wall/region ` - use region surface as wall * :doc:`wall/region/ees ` - use region surface as wall for ellipsoidal particles * :doc:`wall/srd ` - slip/no-slip wall for SRD particles +* :doc:`widom ` - Widom insertions of atoms or molecules Restrictions """""""""""" diff --git a/doc/src/fix_widom.rst b/doc/src/fix_widom.rst index dd18bad3b2..217906e0bc 100644 --- a/doc/src/fix_widom.rst +++ b/doc/src/fix_widom.rst @@ -41,52 +41,55 @@ Examples Description """"""""""" -This fix performs Widom insertions of -atoms or molecules at the given temperature as discussed -in :ref:`(Frenkel) `. Specific uses include computation of Henry constants -of small molecules in microporous materials or amorphous systems. +This fix performs Widom insertions of atoms or molecules at the given +temperature as discussed in :ref:`(Frenkel) `. Specific uses +include computation of Henry constants of small molecules in microporous +materials or amorphous systems. -Every N timesteps the fix attempts M number of Widom insertions of atoms or molecules. +Every N timesteps the fix attempts M number of Widom insertions of atoms +or molecules. If the *mol* keyword is used, only molecule insertions are performed. -Conversely, if the *mol* keyword is not used, only atom insertions are performed. +Conversely, if the *mol* keyword is not used, only atom insertions are +performed. This command may optionally use the *region* keyword to define an -insertion volume. The specified region must have been -previously defined with a :doc:`region ` command. It must be -defined with side = *in*\ . Insertion attempts occur only within the -specified region. For non-rectangular regions, random trial points are -generated within the rectangular bounding box until a point is found -that lies inside the region. If no valid point is generated after 1000 -trials, no insertion is performed. If an attempted insertion places the atom or molecule -center-of-mass outside the specified region, a new attempted insertion is -generated. This process is repeated until the atom or molecule -center-of-mass is inside the specified region. +insertion volume. The specified region must have been previously +defined with a :doc:`region ` command. It must be defined with +side = *in*\ . Insertion attempts occur only within the specified +region. For non-rectangular regions, random trial points are generated +within the rectangular bounding box until a point is found that lies +inside the region. If no valid point is generated after 1000 trials, no +insertion is performed. If an attempted insertion places the atom or +molecule center-of-mass outside the specified region, a new attempted +insertion is generated. This process is repeated until the atom or +molecule center-of-mass is inside the specified region. Note that neighbor lists are re-built every timestep that this fix is -invoked, so you should not set N to be too small. See -the :doc:`neighbor ` command for details. +invoked, so you should not set N to be too small. See the :doc:`neighbor +` command for details. When an atom or molecule is to be inserted, its coordinates are chosen -at a random position within the current simulation cell or regionRelative coordinates for atoms in a -molecule are taken from the template molecule provided by the -user. The center of mass of the molecule is placed at the insertion -point. The orientation of the molecule is chosen at random by rotating -about this point. +at a random position within the current simulation cell or +regionRelative coordinates for atoms in a molecule are taken from the +template molecule provided by the user. The center of mass of the +molecule is placed at the insertion point. The orientation of the +molecule is chosen at random by rotating about this point. Individual atoms are inserted, unless the *mol* keyword is used. It -specifies a *template-ID* previously defined using the -:doc:`molecule ` command, which reads a file that defines the -molecule. The coordinates, atom types, charges, etc., as well as any -bonding and special neighbor information for the molecule can -be specified in the molecule file. See the :doc:`molecule ` -command for details. The only settings required to be in this file -are the coordinates and types of atoms in the molecule. +specifies a *template-ID* previously defined using the :doc:`molecule +` command, which reads a file that defines the molecule. The +coordinates, atom types, charges, etc., as well as any bonding and +special neighbor information for the molecule can be specified in the +molecule file. See the :doc:`molecule ` command for details. +The only settings required to be in this file are the coordinates and +types of atoms in the molecule. If you wish to insert molecules via the *mol* keyword, that will have their bonds or angles constrained via SHAKE, use the *shake* keyword, -specifying as its value the ID of a separate :doc:`fix shake ` command which also appears in your input script. +specifying as its value the ID of a separate :doc:`fix shake +` command which also appears in your input script. Note that fix widom does not use configurational bias MC or any other kind of sampling of intramolecular degrees of freedom. Inserted @@ -94,9 +97,9 @@ molecules can have different orientations, but they will all have the same intramolecular configuration, which was specified in the molecule command input. -For atoms, inserted particles have the specified atom type. -For molecules, they use the same atom types as in the template molecule supplied -by the user. +For atoms, inserted particles have the specified atom type. For +molecules, they use the same atom types as in the template molecule +supplied by the user. The excess chemical potential mu_ex is defined as: @@ -104,15 +107,15 @@ The excess chemical potential mu_ex is defined as: \mu_{ex} = -kT \ln(<\exp(-(U_{N+1}-U_{N})/{kT})>) -where *k* is Boltzman's constant, *T* is the user-specified temperature, U_N and U_{N+1} -is the potential energy of the system with N and N+1 particles. +where *k* is Boltzman's constant, *T* is the user-specified temperature, +U_N and U_{N+1} is the potential energy of the system with N and N+1 +particles. The *full_energy* option means that the fix calculates the total -potential energy of the entire simulated system, instead of just -the energy of the part that is changed. By default, this option is off, -in which case only -partial energies are computed to determine the energy difference -due to the proposed change. +potential energy of the entire simulated system, instead of just the +energy of the part that is changed. By default, this option is off, in +which case only partial energies are computed to determine the energy +difference due to the proposed change. The *full_energy* option is needed for systems with complicated potential energy calculations, including the following: @@ -129,52 +132,51 @@ keyword and issue a warning message. When the *mol* keyword is used, the *full_energy* option also includes the intramolecular energy of inserted and deleted molecules, whereas -this energy is not included when *full_energy* is not used. If this -is not desired, the *intra_energy* keyword can be used to define an -amount of energy that is subtracted from the final energy when a -molecule is inserted, and subtracted from the initial energy when a molecule -is deleted. For molecules that have a non-zero intramolecular energy, -this will ensure roughly the same behavior whether or not the -*full_energy* option is used. - +this energy is not included when *full_energy* is not used. If this is +not desired, the *intra_energy* keyword can be used to define an amount +of energy that is subtracted from the final energy when a molecule is +inserted, and subtracted from the initial energy when a molecule is +deleted. For molecules that have a non-zero intramolecular energy, this +will ensure roughly the same behavior whether or not the *full_energy* +option is used. Some fixes have an associated potential energy. Examples of such fixes include: :doc:`efield `, :doc:`gravity `, -:doc:`addforce `, -:doc:`restrain `, - and :doc:`wall fixes `. -For that energy to be included in the total potential energy of the -system (the quantity used when performing Widom insertions), -you MUST enable -the :doc:`fix_modify ` *energy* option for that fix. The -doc pages for individual :doc:`fix ` commands specify if this -should be done. +:doc:`addforce `, :doc:`restrain `, and +:doc:`wall fixes `. For that energy to be included in the +total potential energy of the system (the quantity used when performing +Widom insertions), you MUST enable the :doc:`fix_modify ` +*energy* option for that fix. The doc pages for individual :doc:`fix +` commands specify if this should be done. Use the *charge* option to insert atoms with a user-specified point -charge. Note that doing so will cause the system to become -non-neutral. LAMMPS issues a warning when using long-range -electrostatics (kspace) with non-neutral systems. See the :doc:`compute group/group ` documentation for more details -about simulating non-neutral systems with kspace on. +charge. Note that doing so will cause the system to become non-neutral. +LAMMPS issues a warning when using long-range electrostatics (kspace) +with non-neutral systems. See the :doc:`compute group/group +` documentation for more details about simulating +non-neutral systems with kspace on. **Restart, fix_modify, output, run start/stop, minimize info:** -This fix writes the state of the fix to :doc:`binary restart files `. This includes information about the random -number generator seed, the next timestep for Widom insertions etc. See -the :doc:`read_restart ` command for info on how to -re-specify a fix in an input script that reads a restart file, so that -the operation of the fix continues in an uninterrupted fashion. +This fix writes the state of the fix to :doc:`binary restart files +`. This includes information about the random number generator +seed, the next timestep for Widom insertions etc. See the +:doc:`read_restart ` command for info on how to re-specify +a fix in an input script that reads a restart file, so that the +operation of the fix continues in an uninterrupted fashion. .. note:: For this to work correctly, the timestep must **not** be changed - after reading the restart with :doc:`reset_timestep `. - The fix will try to detect it and stop with an error. + after reading the restart with :doc:`reset_timestep + `. The fix will try to detect it and stop with an + error. None of the :doc:`fix_modify ` options are relevant to this fix. -This fix computes a global vector of length 3, which can be accessed -by various :doc:`output commands `. The vector values are +This fix computes a global vector of length 3, which can be accessed by +various :doc:`output commands `. The vector values are the following global cumulative quantities: * 1 = average excess chemical potential on each timestep @@ -184,7 +186,8 @@ the following global cumulative quantities: The vector values calculated by this fix are "extensive". No parameter of this fix can be used with the *start/stop* keywords of -the :doc:`run ` command. This fix is not invoked during :doc:`energy minimization `. +the :doc:`run ` command. This fix is not invoked during +:doc:`energy minimization `. Restrictions """""""""""" @@ -194,10 +197,10 @@ built with that package. See the :doc:`Build package ` doc page for more info. Do not set "neigh_modify once yes" or else this fix will never be -called. Reneighboring is required. +called. Reneighboring is **required**. -Can be run in parallel, but aspects of the GCMC part will not scale -well in parallel. Only usable for 3D simulations. +Can be run in parallel, but aspects of the GCMC part will not scale well +in parallel. Only usable for 3D simulations. Related commands @@ -212,9 +215,9 @@ Related commands Default """"""" -The option defaults are mol = no, intra_energy = 0.0 and full_energy = no, -except for the situations where full_energy is required, as -listed above. +The option defaults are mol = no, intra_energy = 0.0 and full_energy = +no, except for the situations where full_energy is required, as listed +above. ---------- From 300beb819b730d59ca44fbb9a4390da37b16db66 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 15 Jul 2020 20:54:58 -0400 Subject: [PATCH 07/15] change from DOS/Windows CR/LF to LF --- doc/src/fix_widom.rst | 454 +++++++++++++++++++++--------------------- 1 file changed, 227 insertions(+), 227 deletions(-) diff --git a/doc/src/fix_widom.rst b/doc/src/fix_widom.rst index 217906e0bc..1a12a79f5d 100644 --- a/doc/src/fix_widom.rst +++ b/doc/src/fix_widom.rst @@ -1,227 +1,227 @@ -.. index:: fix widom - -fix widom command -================= - -Syntax -"""""" - -.. parsed-literal:: - - fix ID group-ID widom N M type seed T keyword values ... - -* ID, group-ID are documented in :doc:`fix ` command -* widom = style name of this fix command -* N = invoke this fix every N steps -* M = number of Widom insertions to attempt every N steps -* type = atom type for inserted atoms (must be 0 if mol keyword used) -* seed = random # seed (positive integer) -* T = temperature of the system (temperature units) -* zero or more keyword/value pairs may be appended to args - - .. parsed-literal:: - - keyword = *mol*\ , *region*\ , *full_energy*, *charge*\ , *intra_energy* - *mol* value = template-ID - template-ID = ID of molecule template specified in a separate :doc:`molecule ` command - *region* value = region-ID - region-ID = ID of region where Widom insertions are allowed - *full_energy* = compute the entire system energy when performing Widom insertions - *charge* value = charge of inserted atoms (charge units) - *intra_energy* value = intramolecular energy (energy units) - -Examples -"""""""" - -.. code-block:: LAMMPS - - fix 2 gas widom 1 50000 1 19494 2.0 - fix 3 water widom 1000 100 0 29494 300.0 mol h2omol full_energy - -Description -""""""""""" - -This fix performs Widom insertions of atoms or molecules at the given -temperature as discussed in :ref:`(Frenkel) `. Specific uses -include computation of Henry constants of small molecules in microporous -materials or amorphous systems. - - -Every N timesteps the fix attempts M number of Widom insertions of atoms -or molecules. - -If the *mol* keyword is used, only molecule insertions are performed. -Conversely, if the *mol* keyword is not used, only atom insertions are -performed. - -This command may optionally use the *region* keyword to define an -insertion volume. The specified region must have been previously -defined with a :doc:`region ` command. It must be defined with -side = *in*\ . Insertion attempts occur only within the specified -region. For non-rectangular regions, random trial points are generated -within the rectangular bounding box until a point is found that lies -inside the region. If no valid point is generated after 1000 trials, no -insertion is performed. If an attempted insertion places the atom or -molecule center-of-mass outside the specified region, a new attempted -insertion is generated. This process is repeated until the atom or -molecule center-of-mass is inside the specified region. - -Note that neighbor lists are re-built every timestep that this fix is -invoked, so you should not set N to be too small. See the :doc:`neighbor -` command for details. - -When an atom or molecule is to be inserted, its coordinates are chosen -at a random position within the current simulation cell or -regionRelative coordinates for atoms in a molecule are taken from the -template molecule provided by the user. The center of mass of the -molecule is placed at the insertion point. The orientation of the -molecule is chosen at random by rotating about this point. - -Individual atoms are inserted, unless the *mol* keyword is used. It -specifies a *template-ID* previously defined using the :doc:`molecule -` command, which reads a file that defines the molecule. The -coordinates, atom types, charges, etc., as well as any bonding and -special neighbor information for the molecule can be specified in the -molecule file. See the :doc:`molecule ` command for details. -The only settings required to be in this file are the coordinates and -types of atoms in the molecule. - -If you wish to insert molecules via the *mol* keyword, that will have -their bonds or angles constrained via SHAKE, use the *shake* keyword, -specifying as its value the ID of a separate :doc:`fix shake -` command which also appears in your input script. - -Note that fix widom does not use configurational bias MC or any other -kind of sampling of intramolecular degrees of freedom. Inserted -molecules can have different orientations, but they will all have the -same intramolecular configuration, which was specified in the molecule -command input. - -For atoms, inserted particles have the specified atom type. For -molecules, they use the same atom types as in the template molecule -supplied by the user. - -The excess chemical potential mu_ex is defined as: - -.. math:: - - \mu_{ex} = -kT \ln(<\exp(-(U_{N+1}-U_{N})/{kT})>) - -where *k* is Boltzman's constant, *T* is the user-specified temperature, -U_N and U_{N+1} is the potential energy of the system with N and N+1 -particles. - -The *full_energy* option means that the fix calculates the total -potential energy of the entire simulated system, instead of just the -energy of the part that is changed. By default, this option is off, in -which case only partial energies are computed to determine the energy -difference due to the proposed change. - -The *full_energy* option is needed for systems with complicated -potential energy calculations, including the following: - -* long-range electrostatics (kspace) -* many-body pair styles -* hybrid pair styles -* eam pair styles -* tail corrections -* need to include potential energy contributions from other fixes - -In these cases, LAMMPS will automatically apply the *full_energy* -keyword and issue a warning message. - -When the *mol* keyword is used, the *full_energy* option also includes -the intramolecular energy of inserted and deleted molecules, whereas -this energy is not included when *full_energy* is not used. If this is -not desired, the *intra_energy* keyword can be used to define an amount -of energy that is subtracted from the final energy when a molecule is -inserted, and subtracted from the initial energy when a molecule is -deleted. For molecules that have a non-zero intramolecular energy, this -will ensure roughly the same behavior whether or not the *full_energy* -option is used. - -Some fixes have an associated potential energy. Examples of such fixes -include: :doc:`efield `, :doc:`gravity `, -:doc:`addforce `, :doc:`restrain `, and -:doc:`wall fixes `. For that energy to be included in the -total potential energy of the system (the quantity used when performing -Widom insertions), you MUST enable the :doc:`fix_modify ` -*energy* option for that fix. The doc pages for individual :doc:`fix -` commands specify if this should be done. - -Use the *charge* option to insert atoms with a user-specified point -charge. Note that doing so will cause the system to become non-neutral. -LAMMPS issues a warning when using long-range electrostatics (kspace) -with non-neutral systems. See the :doc:`compute group/group -` documentation for more details about simulating -non-neutral systems with kspace on. - -**Restart, fix_modify, output, run start/stop, minimize info:** - -This fix writes the state of the fix to :doc:`binary restart files -`. This includes information about the random number generator -seed, the next timestep for Widom insertions etc. See the -:doc:`read_restart ` command for info on how to re-specify -a fix in an input script that reads a restart file, so that the -operation of the fix continues in an uninterrupted fashion. - -.. note:: - - For this to work correctly, the timestep must **not** be changed - after reading the restart with :doc:`reset_timestep - `. The fix will try to detect it and stop with an - error. - -None of the :doc:`fix_modify ` options are relevant to this -fix. - -This fix computes a global vector of length 3, which can be accessed by -various :doc:`output commands `. The vector values are -the following global cumulative quantities: - -* 1 = average excess chemical potential on each timestep -* 2 = average difference in potential energy on each timestep -* 3 = volume of the insertion region - -The vector values calculated by this fix are "extensive". - -No parameter of this fix can be used with the *start/stop* keywords of -the :doc:`run ` command. This fix is not invoked during -:doc:`energy minimization `. - -Restrictions -"""""""""""" - -This fix is part of the MC package. It is only enabled if LAMMPS was -built with that package. See the :doc:`Build package ` -doc page for more info. - -Do not set "neigh_modify once yes" or else this fix will never be -called. Reneighboring is **required**. - -Can be run in parallel, but aspects of the GCMC part will not scale well -in parallel. Only usable for 3D simulations. - - -Related commands -"""""""""""""""" - -:doc:`fix gcmc ` -:doc:`fix atom/swap `, -:doc:`neighbor `, -:doc:`fix deposit `, :doc:`fix evaporate `, - - -Default -""""""" - -The option defaults are mol = no, intra_energy = 0.0 and full_energy = -no, except for the situations where full_energy is required, as listed -above. - ----------- - -.. _Frenkel: - -**(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, -Academic Press, London, 2002. +.. index:: fix widom + +fix widom command +================= + +Syntax +"""""" + +.. parsed-literal:: + + fix ID group-ID widom N M type seed T keyword values ... + +* ID, group-ID are documented in :doc:`fix ` command +* widom = style name of this fix command +* N = invoke this fix every N steps +* M = number of Widom insertions to attempt every N steps +* type = atom type for inserted atoms (must be 0 if mol keyword used) +* seed = random # seed (positive integer) +* T = temperature of the system (temperature units) +* zero or more keyword/value pairs may be appended to args + + .. parsed-literal:: + + keyword = *mol*\ , *region*\ , *full_energy*, *charge*\ , *intra_energy* + *mol* value = template-ID + template-ID = ID of molecule template specified in a separate :doc:`molecule ` command + *region* value = region-ID + region-ID = ID of region where Widom insertions are allowed + *full_energy* = compute the entire system energy when performing Widom insertions + *charge* value = charge of inserted atoms (charge units) + *intra_energy* value = intramolecular energy (energy units) + +Examples +"""""""" + +.. code-block:: LAMMPS + + fix 2 gas widom 1 50000 1 19494 2.0 + fix 3 water widom 1000 100 0 29494 300.0 mol h2omol full_energy + +Description +""""""""""" + +This fix performs Widom insertions of atoms or molecules at the given +temperature as discussed in :ref:`(Frenkel) `. Specific uses +include computation of Henry constants of small molecules in microporous +materials or amorphous systems. + + +Every N timesteps the fix attempts M number of Widom insertions of atoms +or molecules. + +If the *mol* keyword is used, only molecule insertions are performed. +Conversely, if the *mol* keyword is not used, only atom insertions are +performed. + +This command may optionally use the *region* keyword to define an +insertion volume. The specified region must have been previously +defined with a :doc:`region ` command. It must be defined with +side = *in*\ . Insertion attempts occur only within the specified +region. For non-rectangular regions, random trial points are generated +within the rectangular bounding box until a point is found that lies +inside the region. If no valid point is generated after 1000 trials, no +insertion is performed. If an attempted insertion places the atom or +molecule center-of-mass outside the specified region, a new attempted +insertion is generated. This process is repeated until the atom or +molecule center-of-mass is inside the specified region. + +Note that neighbor lists are re-built every timestep that this fix is +invoked, so you should not set N to be too small. See the :doc:`neighbor +` command for details. + +When an atom or molecule is to be inserted, its coordinates are chosen +at a random position within the current simulation cell or +regionRelative coordinates for atoms in a molecule are taken from the +template molecule provided by the user. The center of mass of the +molecule is placed at the insertion point. The orientation of the +molecule is chosen at random by rotating about this point. + +Individual atoms are inserted, unless the *mol* keyword is used. It +specifies a *template-ID* previously defined using the :doc:`molecule +` command, which reads a file that defines the molecule. The +coordinates, atom types, charges, etc., as well as any bonding and +special neighbor information for the molecule can be specified in the +molecule file. See the :doc:`molecule ` command for details. +The only settings required to be in this file are the coordinates and +types of atoms in the molecule. + +If you wish to insert molecules via the *mol* keyword, that will have +their bonds or angles constrained via SHAKE, use the *shake* keyword, +specifying as its value the ID of a separate :doc:`fix shake +` command which also appears in your input script. + +Note that fix widom does not use configurational bias MC or any other +kind of sampling of intramolecular degrees of freedom. Inserted +molecules can have different orientations, but they will all have the +same intramolecular configuration, which was specified in the molecule +command input. + +For atoms, inserted particles have the specified atom type. For +molecules, they use the same atom types as in the template molecule +supplied by the user. + +The excess chemical potential mu_ex is defined as: + +.. math:: + + \mu_{ex} = -kT \ln(<\exp(-(U_{N+1}-U_{N})/{kT})>) + +where *k* is Boltzman's constant, *T* is the user-specified temperature, +U_N and U_{N+1} is the potential energy of the system with N and N+1 +particles. + +The *full_energy* option means that the fix calculates the total +potential energy of the entire simulated system, instead of just the +energy of the part that is changed. By default, this option is off, in +which case only partial energies are computed to determine the energy +difference due to the proposed change. + +The *full_energy* option is needed for systems with complicated +potential energy calculations, including the following: + +* long-range electrostatics (kspace) +* many-body pair styles +* hybrid pair styles +* eam pair styles +* tail corrections +* need to include potential energy contributions from other fixes + +In these cases, LAMMPS will automatically apply the *full_energy* +keyword and issue a warning message. + +When the *mol* keyword is used, the *full_energy* option also includes +the intramolecular energy of inserted and deleted molecules, whereas +this energy is not included when *full_energy* is not used. If this is +not desired, the *intra_energy* keyword can be used to define an amount +of energy that is subtracted from the final energy when a molecule is +inserted, and subtracted from the initial energy when a molecule is +deleted. For molecules that have a non-zero intramolecular energy, this +will ensure roughly the same behavior whether or not the *full_energy* +option is used. + +Some fixes have an associated potential energy. Examples of such fixes +include: :doc:`efield `, :doc:`gravity `, +:doc:`addforce `, :doc:`restrain `, and +:doc:`wall fixes `. For that energy to be included in the +total potential energy of the system (the quantity used when performing +Widom insertions), you MUST enable the :doc:`fix_modify ` +*energy* option for that fix. The doc pages for individual :doc:`fix +` commands specify if this should be done. + +Use the *charge* option to insert atoms with a user-specified point +charge. Note that doing so will cause the system to become non-neutral. +LAMMPS issues a warning when using long-range electrostatics (kspace) +with non-neutral systems. See the :doc:`compute group/group +` documentation for more details about simulating +non-neutral systems with kspace on. + +**Restart, fix_modify, output, run start/stop, minimize info:** + +This fix writes the state of the fix to :doc:`binary restart files +`. This includes information about the random number generator +seed, the next timestep for Widom insertions etc. See the +:doc:`read_restart ` command for info on how to re-specify +a fix in an input script that reads a restart file, so that the +operation of the fix continues in an uninterrupted fashion. + +.. note:: + + For this to work correctly, the timestep must **not** be changed + after reading the restart with :doc:`reset_timestep + `. The fix will try to detect it and stop with an + error. + +None of the :doc:`fix_modify ` options are relevant to this +fix. + +This fix computes a global vector of length 3, which can be accessed by +various :doc:`output commands `. The vector values are +the following global cumulative quantities: + +* 1 = average excess chemical potential on each timestep +* 2 = average difference in potential energy on each timestep +* 3 = volume of the insertion region + +The vector values calculated by this fix are "extensive". + +No parameter of this fix can be used with the *start/stop* keywords of +the :doc:`run ` command. This fix is not invoked during +:doc:`energy minimization `. + +Restrictions +"""""""""""" + +This fix is part of the MC package. It is only enabled if LAMMPS was +built with that package. See the :doc:`Build package ` +doc page for more info. + +Do not set "neigh_modify once yes" or else this fix will never be +called. Reneighboring is **required**. + +Can be run in parallel, but aspects of the GCMC part will not scale well +in parallel. Only usable for 3D simulations. + + +Related commands +"""""""""""""""" + +:doc:`fix gcmc ` +:doc:`fix atom/swap `, +:doc:`neighbor `, +:doc:`fix deposit `, :doc:`fix evaporate `, + + +Default +""""""" + +The option defaults are mol = no, intra_energy = 0.0 and full_energy = +no, except for the situations where full_energy is required, as listed +above. + +---------- + +.. _Frenkel: + +**(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, +Academic Press, London, 2002. From 4dc61f7f2aa3dfed7c0efd93672cd2fb4899274f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 15 Jul 2020 20:56:50 -0400 Subject: [PATCH 08/15] make frenkel book anchors globally unique --- doc/src/fix_gcmc.rst | 4 ++-- doc/src/fix_widom.rst | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/doc/src/fix_gcmc.rst b/doc/src/fix_gcmc.rst index 77a0323000..9a51bea97c 100644 --- a/doc/src/fix_gcmc.rst +++ b/doc/src/fix_gcmc.rst @@ -68,7 +68,7 @@ Description This fix performs grand canonical Monte Carlo (GCMC) exchanges of atoms or molecules with an imaginary ideal gas reservoir at the specified T and chemical potential (mu) as discussed -in :ref:`(Frenkel) `. It also +in :ref:`(Frenkel) `. It also attempts Monte Carlo (MC) moves (translations and molecule rotations) within the simulation cell or region. If used with the :doc:`fix nvt ` @@ -481,7 +481,7 @@ listed above. ---------- -.. _Frenkel: +.. _Frenkel2: **(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, Academic Press, London, 2002. diff --git a/doc/src/fix_widom.rst b/doc/src/fix_widom.rst index 1a12a79f5d..f587316fd8 100644 --- a/doc/src/fix_widom.rst +++ b/doc/src/fix_widom.rst @@ -42,7 +42,7 @@ Description """"""""""" This fix performs Widom insertions of atoms or molecules at the given -temperature as discussed in :ref:`(Frenkel) `. Specific uses +temperature as discussed in :ref:`(Frenkel) `. Specific uses include computation of Henry constants of small molecules in microporous materials or amorphous systems. @@ -221,7 +221,7 @@ above. ---------- -.. _Frenkel: +.. _Frenkel1: **(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, Academic Press, London, 2002. From 29e2c82d71a78f30efbf640245b3a9c12e3d3061 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 15 Jul 2020 21:00:43 -0400 Subject: [PATCH 09/15] fix broken line wrap. --- doc/src/fix_widom.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/src/fix_widom.rst b/doc/src/fix_widom.rst index f587316fd8..0d191740af 100644 --- a/doc/src/fix_widom.rst +++ b/doc/src/fix_widom.rst @@ -71,8 +71,8 @@ invoked, so you should not set N to be too small. See the :doc:`neighbor ` command for details. When an atom or molecule is to be inserted, its coordinates are chosen -at a random position within the current simulation cell or -regionRelative coordinates for atoms in a molecule are taken from the +at a random position within the current simulation cell or region. +Relative coordinates for atoms in a molecule are taken from the template molecule provided by the user. The center of mass of the molecule is placed at the insertion point. The orientation of the molecule is chosen at random by rotating about this point. From c9342aec31f1a4ad2a544f50dceefb429173d938 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 17 Jul 2020 15:02:11 -0400 Subject: [PATCH 10/15] add lj example for fix widom --- examples/gcmc/data.widom.lj | 2019 ++++++++++++++++++++++ examples/gcmc/in.widom.lj | 28 + examples/gcmc/log.30Jun20.widom.lj.g++.1 | 89 + examples/gcmc/log.30Jun20.widom.lj.g++.4 | 89 + 4 files changed, 2225 insertions(+) create mode 100644 examples/gcmc/data.widom.lj create mode 100644 examples/gcmc/in.widom.lj create mode 100644 examples/gcmc/log.30Jun20.widom.lj.g++.1 create mode 100644 examples/gcmc/log.30Jun20.widom.lj.g++.4 diff --git a/examples/gcmc/data.widom.lj b/examples/gcmc/data.widom.lj new file mode 100644 index 0000000000..c18470c347 --- /dev/null +++ b/examples/gcmc/data.widom.lj @@ -0,0 +1,2019 @@ +LAMMPS data file via write_data, version 30 Jun 2020, timestep = 0 + +1000 atoms +2 atom types + +0.0000000000000000e+00 9.4000000000000004e+00 xlo xhi +0.0000000000000000e+00 9.4000000000000004e+00 ylo yhi +0.0000000000000000e+00 9.4000000000000004e+00 zlo zhi + +Masses + +1 1 +2 1 + +Atoms # atomic + +145 1 0.5277638428657475 1.248309700634391 0.8598403682178906 0 0 0 +429 1 0.49557720481897827 1.1038624310937764 1.9377559025942666 0 0 0 +899 2 0.07342629121738602 1.7531364344075921 1.5891211301763133 0 0 0 +682 1 1.6826184726299194 1.0811259652213423 1.9461998229465234 0 0 0 +244 1 1.4761893703068425 0.7430774730330858 0.7212046412387856 0 0 0 +29 1 0.5445105825679847 0.28368801979004804 1.3088646340439791 0 0 0 +67 1 1.7863040979340368 0.15157503572730732 1.457405643583397 0 0 0 +384 1 1.9244222194519844 3.7809039817086565 2.2613421581844753 0 0 0 +225 1 2.7073923410137852 0.7932278998475975 2.0643383028633067 0 0 0 +801 2 3.338914102490956 0.7307566793543181 1.4064981088006336 0 0 0 +569 1 2.412917493989252 0.9576647006114257 1.090727440878674 0 0 0 +169 1 3.108879753767929 1.2802985932093798 0.11486940760541614 0 0 0 +476 1 2.113066489667454 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+1,28 @@ +# Kob and Andersen model Phys. Rev. E 51, 4626 (1995) + +units lj +atom_style atomic + +pair_style lj/cut 2.5 +pair_modify shift yes + +read_data data.widom.lj + +pair_coeff 1 1 1.0 1.0 2.5 +pair_coeff 1 2 1.5 0.8 2.0 +pair_coeff 2 2 0.5 0.88 2.2 + +neighbor 0.3 bin +neigh_modify delay 0 every 5 check yes + +fix mywidom all widom 10 100000 2 29494 0.75 + +fix 1 all langevin 0.75 0.75 0.1 48279 zero yes +fix 2 all nve + +timestep 0.002 + +thermo_style custom step temp pe etotal press vol density f_mywidom[1] f_mywidom[2] f_mywidom[3] +thermo 10 + +run 100 diff --git a/examples/gcmc/log.30Jun20.widom.lj.g++.1 b/examples/gcmc/log.30Jun20.widom.lj.g++.1 new file mode 100644 index 0000000000..71621f9b4e --- /dev/null +++ b/examples/gcmc/log.30Jun20.widom.lj.g++.1 @@ -0,0 +1,89 @@ +LAMMPS (30 Jun 2020) + using 1 OpenMP thread(s) per MPI task +# Kob and Andersen model Phys. Rev. E 51, 4626 (1995) + +units lj +atom_style atomic + +pair_style lj/cut 2.5 +pair_modify shift yes + +read_data data.widom.lj + orthogonal box = (0.0000000 0.0000000 0.0000000) to (9.4000000 9.4000000 9.4000000) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 1000 atoms + reading velocities ... + 1000 velocities + read_data CPU = 0.003 seconds + +pair_coeff 1 1 1.0 1.0 2.5 +pair_coeff 1 2 1.5 0.8 2.0 +pair_coeff 2 2 0.5 0.88 2.2 + +neighbor 0.3 bin +neigh_modify delay 0 every 5 check yes + +fix mywidom all widom 10 100000 2 29494 0.75 + +fix 1 all langevin 0.75 0.75 0.1 48279 zero yes +fix 2 all nve + +timestep 0.002 + +thermo_style custom step temp pe etotal press vol density f_mywidom[1] f_mywidom[2] f_mywidom[3] +thermo 10 + +run 100 +Neighbor list info ... + update every 5 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.8 + ghost atom cutoff = 2.8 + binsize = 1.4, bins = 7 7 7 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair lj/cut, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d/newton + bin: standard +Per MPI rank memory allocation (min/avg/max) = 3.181 | 3.181 | 3.181 Mbytes +Step Temp PotEng TotEng Press Volume Density f_mywidom[1] f_mywidom[2] f_mywidom[3] + 0 0.75021245 -6.4204308 -5.2962374 7.2962696 830.584 1.2039721 0 0 830.584 + 10 0.7358936 -6.4405082 -5.3377717 7.1699962 830.584 1.2039721 -3.8577501 171.3429 830.584 + 20 0.75426414 -6.4267946 -5.2965298 7.2833985 830.584 1.2039721 -4.0708206 227.63895 830.584 + 30 0.72947489 -6.4064078 -5.3132896 7.3872583 830.584 1.2039721 -4.4304803 367.7146 830.584 + 40 0.73504751 -6.4248725 -5.3234038 7.2927069 830.584 1.2039721 -4.1904189 266.99373 830.584 + 50 0.76497439 -6.4352472 -5.2889331 7.3046861 830.584 1.2039721 -3.8628472 172.51133 830.584 + 60 0.75752861 -6.4147051 -5.2795485 7.4416 830.584 1.2039721 -3.5355467 111.5042 830.584 + 70 0.77775078 -6.4210798 -5.2556202 7.4473703 830.584 1.2039721 -3.4754802 102.92223 830.584 + 80 0.80937104 -6.4320008 -5.2191583 7.4121087 830.584 1.2039721 -3.9287513 188.35625 830.584 + 90 0.76321255 -6.4203633 -5.2766893 7.4307727 830.584 1.2039721 -4.2257529 279.87337 830.584 + 100 0.74561743 -6.4010576 -5.2837499 7.52907 830.584 1.2039721 -3.6817835 135.5099 830.584 +Loop time of 25.8264 on 1 procs for 100 steps with 1000 atoms + +Performance: 669.082 tau/day, 3.872 timesteps/s +99.8% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.08186 | 0.08186 | 0.08186 | 0.0 | 0.32 +Neigh | 0.023613 | 0.023613 | 0.023613 | 0.0 | 0.09 +Comm | 0.0053532 | 0.0053532 | 0.0053532 | 0.0 | 0.02 +Output | 0.00037837 | 0.00037837 | 0.00037837 | 0.0 | 0.00 +Modify | 25.715 | 25.715 | 25.715 | 0.0 | 99.57 +Other | | 0.0005643 | | | 0.00 + +Nlocal: 1000.00 ave 1000 max 1000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 3049.00 ave 3049 max 3049 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 46176.0 ave 46176 max 46176 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 46176 +Ave neighs/atom = 46.176000 +Neighbor list builds = 10 +Dangerous builds = 0 +Total wall time: 0:00:25 diff --git a/examples/gcmc/log.30Jun20.widom.lj.g++.4 b/examples/gcmc/log.30Jun20.widom.lj.g++.4 new file mode 100644 index 0000000000..f726faed66 --- /dev/null +++ b/examples/gcmc/log.30Jun20.widom.lj.g++.4 @@ -0,0 +1,89 @@ +LAMMPS (30 Jun 2020) + using 1 OpenMP thread(s) per MPI task +# Kob and Andersen model Phys. Rev. E 51, 4626 (1995) + +units lj +atom_style atomic + +pair_style lj/cut 2.5 +pair_modify shift yes + +read_data data.widom.lj + orthogonal box = (0.0000000 0.0000000 0.0000000) to (9.4000000 9.4000000 9.4000000) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 1000 atoms + reading velocities ... + 1000 velocities + read_data CPU = 0.002 seconds + +pair_coeff 1 1 1.0 1.0 2.5 +pair_coeff 1 2 1.5 0.8 2.0 +pair_coeff 2 2 0.5 0.88 2.2 + +neighbor 0.3 bin +neigh_modify delay 0 every 5 check yes + +fix mywidom all widom 10 100000 2 29494 0.75 + +fix 1 all langevin 0.75 0.75 0.1 48279 zero yes +fix 2 all nve + +timestep 0.002 + +thermo_style custom step temp pe etotal press vol density f_mywidom[1] f_mywidom[2] f_mywidom[3] +thermo 10 + +run 100 +Neighbor list info ... + update every 5 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.8 + ghost atom cutoff = 2.8 + binsize = 1.4, bins = 7 7 7 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair lj/cut, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d/newton + bin: standard +Per MPI rank memory allocation (min/avg/max) = 3.13 | 3.13 | 3.131 Mbytes +Step Temp PotEng TotEng Press Volume Density f_mywidom[1] f_mywidom[2] f_mywidom[3] + 0 0.75021245 -6.4204308 -5.2962374 7.2962696 830.584 1.2039721 0 0 830.584 + 10 0.74279259 -6.4332442 -5.3201696 7.2071344 830.584 1.2039721 -3.4462258 98.984938 830.584 + 20 0.73016272 -6.4222911 -5.3281423 7.2714238 830.584 1.2039721 -4.4887329 397.41346 830.584 + 30 0.74416342 -6.429139 -5.3140101 7.2713375 830.584 1.2039721 -4.3313574 322.19056 830.584 + 40 0.73295457 -6.4370942 -5.3387618 7.227091 830.584 1.2039721 -4.7419281 557.00309 830.584 + 50 0.76914235 -6.4473959 -5.2948361 7.2179148 830.584 1.2039721 -3.1794069 69.352982 830.584 + 60 0.74099083 -6.4433012 -5.3329265 7.204973 830.584 1.2039721 -3.5231065 109.66994 830.584 + 70 0.74514671 -6.4288463 -5.312244 7.2771269 830.584 1.2039721 -1.0154832 3.8727995 830.584 + 80 0.72787097 -6.4457574 -5.3550427 7.1130709 830.584 1.2039721 -3.6691709 133.2501 830.584 + 90 0.78452846 -6.5034376 -5.3278217 6.8238659 830.584 1.2039721 -2.0798339 16.008373 830.584 + 100 0.77188499 -6.487313 -5.3306433 6.9133194 830.584 1.2039721 -2.066579 15.727938 830.584 +Loop time of 3.37748 on 4 procs for 100 steps with 1000 atoms + +Performance: 5116.239 tau/day, 29.608 timesteps/s +98.7% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.02025 | 0.020952 | 0.021322 | 0.3 | 0.62 +Neigh | 0.0059071 | 0.0060568 | 0.0061543 | 0.1 | 0.18 +Comm | 0.016558 | 0.059554 | 0.094282 | 12.2 | 1.76 +Output | 0.00022173 | 0.00042927 | 0.0010471 | 0.0 | 0.01 +Modify | 3.2552 | 3.2902 | 3.3335 | 1.7 | 97.42 +Other | | 0.0003003 | | | 0.01 + +Nlocal: 250.000 ave 256 max 242 min +Histogram: 1 0 0 0 1 0 0 0 1 1 +Nghost: 1666.00 ave 1670 max 1659 min +Histogram: 1 0 0 0 0 0 1 0 0 2 +Neighs: 11538.0 ave 11832 max 11091 min +Histogram: 1 0 0 0 0 0 1 1 0 1 + +Total # of neighbors = 46152 +Ave neighs/atom = 46.152000 +Neighbor list builds = 10 +Dangerous builds = 0 +Total wall time: 0:00:03 From 117499e8475abec6c3a9fea83cd5c7ec2792f9eb Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 17 Jul 2020 15:02:47 -0400 Subject: [PATCH 11/15] avoid floating point exception (log(0)) --- src/MC/fix_widom.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/MC/fix_widom.cpp b/src/MC/fix_widom.cpp index 645276f3cb..52c1b46600 100644 --- a/src/MC/fix_widom.cpp +++ b/src/MC/fix_widom.cpp @@ -1193,9 +1193,9 @@ void FixWidom::update_gas_atoms_list() double FixWidom::compute_vector(int n) { - - if (n == 0) return -log(ave_widom_chemical_potential)/beta; - if (n == 1) return ave_widom_chemical_potential; + const double pot = ave_widom_chemical_potential; + if (n == 0) return (pot > 0) ? -log(pot)/beta : 0.0; + if (n == 1) return pot; if (n == 2) return volume; return 0.0; } From 0e6531e2b603089078df674590c8b07f7b960016 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 17 Jul 2020 15:02:53 -0400 Subject: [PATCH 12/15] whitespace cleanup --- src/MC/fix_widom.cpp | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/src/MC/fix_widom.cpp b/src/MC/fix_widom.cpp index 52c1b46600..5f26f175be 100644 --- a/src/MC/fix_widom.cpp +++ b/src/MC/fix_widom.cpp @@ -61,7 +61,7 @@ enum{EXCHATOM,EXCHMOL}; // exchmode FixWidom::FixWidom(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), - idregion(NULL), full_flag(0), + idregion(NULL), full_flag(0), local_gas_list(NULL), molcoords(NULL), molq(NULL), molimage(NULL), random_equal(NULL) { @@ -483,13 +483,13 @@ void FixWidom::pre_exchange() if (full_flag) { energy_stored = energy_full(); - + if (exchmode == EXCHATOM) { attempt_atomic_insertion_full(); } else { attempt_molecule_insertion_full(); } - + if (triclinic) domain->x2lamda(atom->nlocal); domain->pbc(); comm->exchange(); @@ -504,7 +504,7 @@ void FixWidom::pre_exchange() } else { attempt_molecule_insertion(); } - + } next_reneighbor = update->ntimestep + nevery; } @@ -706,7 +706,7 @@ void FixWidom::attempt_molecule_insertion() double incr_chem_pot = (inst_chem_pot - ave_widom_chemical_potential); ave_widom_chemical_potential += incr_chem_pot / (imove + 1); - + delete[] procflag; } @@ -806,7 +806,7 @@ void FixWidom::attempt_atomic_insertion_full() if (proc_flag) atom->nlocal--; if (force->kspace) force->kspace->qsum_qsq(); if (force->pair->tail_flag) force->pair->reinit(); - + update_gas_atoms_list(); } @@ -968,7 +968,7 @@ void FixWidom::attempt_molecule_insertion_full() atom->ndihedrals -= onemols[imol]->ndihedrals; atom->nimpropers -= onemols[imol]->nimpropers; atom->natoms -= natoms_per_molecule; - + int i = 0; while (i < atom->nlocal) { if (atom->molecule[i] == insertion_molecule) { @@ -978,7 +978,7 @@ void FixWidom::attempt_molecule_insertion_full() } if (force->kspace) force->kspace->qsum_qsq(); if (force->pair->tail_flag) force->pair->reinit(); - + update_gas_atoms_list(); } From 93ed07f445cab6013b660dd1d89e4b5d5f3b040c Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 17 Jul 2020 21:26:53 -0400 Subject: [PATCH 13/15] accept const std::string as argument in Group::find() --- src/group.cpp | 4 ++-- src/group.h | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/group.cpp b/src/group.cpp index 61f28c2551..79405c9344 100644 --- a/src/group.cpp +++ b/src/group.cpp @@ -584,10 +584,10 @@ void Group::create(char *name, int *flag) return group index if name matches existing group, -1 if no such group ------------------------------------------------------------------------- */ -int Group::find(const char *name) +int Group::find(const std::string &name) { for (int igroup = 0; igroup < MAX_GROUP; igroup++) - if (names[igroup] && strcmp(name,names[igroup]) == 0) return igroup; + if (names[igroup] && (name == names[igroup])) return igroup; return -1; } diff --git a/src/group.h b/src/group.h index 4c7dca0835..b9a5c27140 100644 --- a/src/group.h +++ b/src/group.h @@ -33,7 +33,7 @@ class Group : protected Pointers { void assign(int, char **); // assign atoms to a group void assign(const std::string &); // convenience function void create(char *, int *); // add flagged atoms to a group - int find(const char *); // lookup name in list of groups + int find(const std::string &); // lookup name in list of groups int find_or_create(const char *); // lookup name or create new group void write_restart(FILE *); void read_restart(FILE *); From 4d4ae93ef86e1b9399027988b64e520fc03b6ac7 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 17 Jul 2020 21:27:49 -0400 Subject: [PATCH 14/15] add missing group names in fix widom. refactor group definition in fix widom and gcmc --- examples/README | 2 +- src/MC/fix_gcmc.cpp | 39 +++++++++-------------------------- src/MC/fix_widom.cpp | 48 ++++++++++---------------------------------- 3 files changed, 22 insertions(+), 67 deletions(-) diff --git a/examples/README b/examples/README index c840ede803..2ec7dc7a82 100644 --- a/examples/README +++ b/examples/README @@ -75,7 +75,7 @@ eim: NaCl using the EIM potential ellipse: ellipsoidal particles in spherical solvent, 2d system flow: Couette and Poiseuille flow in a 2d channel friction: frictional contact of spherical asperities between 2d surfaces -gcmc: Grand Canonical Monte Carlo (GCMC) via the fix gcmc command +gcmc: Grand Canonical MC with fix gcmc, Widom insertion with fix widom gjf: use of fix langevin Gronbech-Jensen/Farago option granregion: use of fix wall/region/gran as boundary on granular particles hugoniostat: Hugoniostat shock dynamics diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 732e76b77e..f977f59c53 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -493,11 +493,7 @@ void FixGCMC::init() } } - if (full_flag) { - char *id_pe = (char *) "thermo_pe"; - int ipe = modify->find_compute(id_pe); - c_pe = modify->compute[ipe]; - } + if (full_flag) c_pe = modify->compute[modify->find_compute("thermo_pe")]; int *type = atom->type; @@ -580,18 +576,12 @@ void FixGCMC::init() // skip if already exists from previous init() if (full_flag && !exclusion_group_bit) { - char **group_arg = new char*[4]; // create unique group name for atoms to be excluded - int len = strlen(id) + 30; - group_arg[0] = new char[len]; - sprintf(group_arg[0],"FixGCMC:gcmc_exclusion_group:%s",id); - group_arg[1] = (char *) "subtract"; - group_arg[2] = (char *) "all"; - group_arg[3] = (char *) "all"; - group->assign(4,group_arg); - exclusion_group = group->find(group_arg[0]); + auto group_id = std::string("FixGCMC:gcmc_exclusion_group:") + id; + group->assign(group_id + " subtract all all"); + exclusion_group = group->find(group_id); if (exclusion_group == -1) error->all(FLERR,"Could not find fix gcmc exclusion group ID"); exclusion_group_bit = group->bitmask[exclusion_group]; @@ -603,34 +593,25 @@ void FixGCMC::init() char **arg = new char*[narg];; arg[0] = (char *) "exclude"; arg[1] = (char *) "group"; - arg[2] = group_arg[0]; + arg[2] = (char *) group_id.c_str(); arg[3] = (char *) "all"; neighbor->modify_params(narg,arg); - delete [] group_arg[0]; - delete [] group_arg; delete [] arg; } // create a new group for temporary use with selected molecules if (exchmode == EXCHMOL || movemode == MOVEMOL) { - char **group_arg = new char*[3]; + // create unique group name for atoms to be rotated - int len = strlen(id) + 30; - group_arg[0] = new char[len]; - sprintf(group_arg[0],"FixGCMC:rotation_gas_atoms:%s",id); - group_arg[1] = (char *) "molecule"; - char digits[12]; - sprintf(digits,"%d",-1); - group_arg[2] = digits; - group->assign(3,group_arg); - molecule_group = group->find(group_arg[0]); + + auto group_id = std::string("FixGCMC:rotation_gas_atoms:") + id; + group->assign(group_id + " molecule -1"); + molecule_group = group->find(group_id); if (molecule_group == -1) error->all(FLERR,"Could not find fix gcmc rotation group ID"); molecule_group_bit = group->bitmask[molecule_group]; molecule_group_inversebit = molecule_group_bit ^ ~0; - delete [] group_arg[0]; - delete [] group_arg; } // get all of the needed molecule data if exchanging diff --git a/src/MC/fix_widom.cpp b/src/MC/fix_widom.cpp index 5f26f175be..af904bfe6a 100644 --- a/src/MC/fix_widom.cpp +++ b/src/MC/fix_widom.cpp @@ -298,13 +298,7 @@ void FixWidom::init() } } - if (full_flag) { - char *id_pe = (char *) "thermo_pe"; - int ipe = modify->find_compute(id_pe); - c_pe = modify->compute[ipe]; - } - - int *type = atom->type; + if (full_flag) c_pe = modify->compute[modify->find_compute("thermo_pe")]; if (exchmode == EXCHATOM) { if (nwidom_type <= 0 || nwidom_type > atom->ntypes) @@ -340,19 +334,14 @@ void FixWidom::init() // skip if already exists from previous init() if (full_flag && !exclusion_group_bit) { - char **group_arg = new char*[4]; // create unique group name for atoms to be excluded - int len = strlen(id) + 30; - group_arg[0] = new char[len]; - group_arg[1] = (char *) "subtract"; - group_arg[2] = (char *) "all"; - group_arg[3] = (char *) "all"; - group->assign(4,group_arg); - exclusion_group = group->find(group_arg[0]); + auto group_id = std::string("FixWidom:widom_exclusion_group:") + id; + group->assign(group_id + " subtract all all"); + exclusion_group = group->find(group_id); if (exclusion_group == -1) - error->all(FLERR,"Could not find fix Widom exclusion group ID"); + error->all(FLERR,"Could not find fix widom exclusion group ID"); exclusion_group_bit = group->bitmask[exclusion_group]; // neighbor list exclusion setup @@ -362,33 +351,23 @@ void FixWidom::init() char **arg = new char*[narg];; arg[0] = (char *) "exclude"; arg[1] = (char *) "group"; - arg[2] = group_arg[0]; + arg[2] = (char *) group_id.c_str(); arg[3] = (char *) "all"; neighbor->modify_params(narg,arg); - delete [] group_arg[0]; - delete [] group_arg; delete [] arg; } // create a new group for temporary use with selected molecules if (exchmode == EXCHMOL) { - char **group_arg = new char*[3]; - // create unique group name for atoms to be rotated - int len = strlen(id) + 30; - group_arg[0] = new char[len]; - group_arg[1] = (char *) "molecule"; - char digits[12]; - sprintf(digits,"%d",-1); - group_arg[2] = digits; - group->assign(3,group_arg); - molecule_group = group->find(group_arg[0]); + + auto group_id = std::string("FixWidom:rotation_gas_atoms:") + id; + group->assign(group_id + " molecule -1"); + molecule_group = group->find(group_id); if (molecule_group == -1) - error->all(FLERR,"Could not find fix Widom rotation group ID"); + error->all(FLERR,"Could not find fix widom rotation group ID"); molecule_group_bit = group->bitmask[molecule_group]; molecule_group_inversebit = molecule_group_bit ^ ~0; - delete [] group_arg[0]; - delete [] group_arg; } // get all of the needed molecule data if exchanging @@ -836,9 +815,6 @@ void FixWidom::attempt_molecule_insertion_full() MPI_Allreduce(&maxtag,&maxtag_all,1,MPI_LMP_TAGINT,MPI_MAX,world); for (int imove = 0; imove < ninsertions; imove++) { - - int nlocalprev = atom->nlocal; - double com_coord[3]; if (regionflag) { int region_attempt = 0; @@ -1051,8 +1027,6 @@ double FixWidom::molecule_energy(tagint gas_molecule_id) double FixWidom::energy_full() { - int imolecule; - if (triclinic) domain->x2lamda(atom->nlocal); domain->pbc(); comm->exchange(); From 55c3d139c12e282032327ad06a97e374aab7a28b Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 17 Jul 2020 21:42:00 -0400 Subject: [PATCH 15/15] add Widom spc/e example --- examples/gcmc/data.spce | 17322 +++++++++++++++++++ examples/gcmc/in.widom.spce | 38 + examples/gcmc/log.30Jun20.widom.spce.g++.1 | 133 + 3 files changed, 17493 insertions(+) create mode 100644 examples/gcmc/data.spce create mode 100644 examples/gcmc/in.widom.spce create mode 100644 examples/gcmc/log.30Jun20.widom.spce.g++.1 diff --git a/examples/gcmc/data.spce b/examples/gcmc/data.spce new file mode 100644 index 0000000000..03f10e290f --- /dev/null +++ b/examples/gcmc/data.spce @@ -0,0 +1,17322 @@ +LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.8 on Fri Jul 17 15:15:46 EDT 2020 + 8640 atoms + 5760 bonds + 2880 angles + 0 dihedrals + 0 impropers + 2 atom types + 1 bond types + 1 angle types + 0 dihedral types + 0 improper types + -0.031613 43.234352 xlo xhi + -0.023523 44.939753 ylo yhi + -0.085255 42.306533 zlo zhi + +# Pair Coeffs +# +# 1 1 +# 2 2 + +# Bond Coeffs +# +# 1 1 + +# Angle Coeffs +# +# 1 1 + + Masses + + 1 1.007940 # 1 + 2 15.999400 # 2 + + Atoms # full + +1 1 1 -0.847600 19.114532 41.527283 39.283123 # 1 HOH +2 1 2 0.423800 19.455938 40.898922 38.563896 # 2 HOH +3 1 2 0.423800 18.412230 41.986092 38.799770 # 2 HOH +4 2 1 -0.847600 42.019962 27.935516 22.722128 # 1 HOH +5 2 2 0.423800 43.009983 27.798321 22.923611 # 2 HOH +6 2 2 0.423800 41.648724 27.269220 23.374628 # 2 HOH +7 3 1 -0.847600 29.209822 23.794432 31.380781 # 1 HOH +8 3 2 0.423800 29.515671 24.692636 31.075594 # 2 HOH +9 3 2 0.423800 28.137854 24.007244 31.505959 # 2 HOH +10 4 1 -0.847600 0.618863 13.770205 2.694165 # 1 HOH +11 4 2 0.423800 1.375798 14.439305 2.878986 # 2 HOH +12 4 2 0.423800 0.948095 13.128622 2.029423 # 2 HOH +13 5 1 -0.847600 14.743280 24.482777 32.992977 # 1 HOH +14 5 2 0.423800 15.241529 25.378311 33.116154 # 2 HOH +15 5 2 0.423800 13.864448 24.925562 32.672241 # 2 HOH +16 6 1 -0.847600 27.104065 2.223401 35.627563 # 1 HOH +17 6 2 0.423800 27.823406 1.556749 35.981224 # 2 HOH +18 6 2 0.423800 27.192734 3.037616 36.127151 # 2 HOH +19 7 1 -0.847600 26.277695 43.179279 38.183174 # 1 HOH +20 7 2 0.423800 27.007023 43.060741 37.500439 # 2 HOH +21 7 2 0.423800 26.900391 42.895409 39.023724 # 2 HOH +22 8 1 -0.847600 20.546331 39.740471 15.324439 # 1 HOH +23 8 2 0.423800 19.770535 39.133842 15.258509 # 2 HOH +24 8 2 0.423800 21.080954 39.192364 16.048628 # 2 HOH +25 9 1 -0.847600 24.118532 39.531456 8.870233 # 1 HOH +26 9 2 0.423800 24.583443 39.853798 8.058677 # 2 HOH +27 9 2 0.423800 23.593937 38.696453 8.561535 # 2 HOH +28 10 1 -0.847600 23.697014 24.281191 14.487023 # 1 HOH +29 10 2 0.423800 24.523146 24.545593 14.079961 # 2 HOH +30 10 2 0.423800 22.948641 24.860252 14.072359 # 2 HOH +31 11 1 -0.847600 6.434516 26.893492 41.216507 # 1 HOH +32 11 2 0.423800 7.365345 26.802828 40.875969 # 2 HOH +33 11 2 0.423800 6.023432 27.755596 40.860508 # 2 HOH +34 12 1 -0.847600 5.209720 16.452827 2.630224 # 1 HOH +35 12 2 0.423800 5.294712 15.814445 1.899292 # 2 HOH +36 12 2 0.423800 6.139685 16.620186 2.952628 # 2 HOH +37 13 1 -0.847600 31.119379 3.000076 23.538351 # 1 HOH +38 13 2 0.423800 31.148005 2.439188 24.413172 # 2 HOH +39 13 2 0.423800 30.968933 2.338305 22.650715 # 2 HOH +40 14 1 -0.847600 36.490158 31.506737 39.893768 # 1 HOH +41 14 2 0.423800 35.964943 32.109928 39.274364 # 2 HOH +42 14 2 0.423800 36.911797 32.137787 40.510628 # 2 HOH +43 15 1 -0.847600 9.839358 30.016785 17.254658 # 1 HOH +44 15 2 0.423800 10.764986 30.301388 17.667625 # 2 HOH +45 15 2 0.423800 9.276013 30.701603 17.561724 # 2 HOH +46 16 1 -0.847600 27.356987 37.685230 8.642321 # 1 HOH +47 16 2 0.423800 28.220984 37.281284 8.713221 # 2 HOH +48 16 2 0.423800 27.407745 38.455044 9.364444 # 2 HOH +49 17 1 -0.847600 28.015959 18.526447 2.386791 # 1 HOH +50 17 2 0.423800 28.632801 17.849354 2.158322 # 2 HOH +51 17 2 0.423800 28.533548 19.276888 2.031397 # 2 HOH +52 18 1 -0.847600 31.587351 28.690706 25.846287 # 1 HOH +53 18 2 0.423800 31.614309 29.504704 26.391808 # 2 HOH +54 18 2 0.423800 32.091923 28.906519 25.085751 # 2 HOH +55 19 1 -0.847600 32.801250 4.897308 21.671196 # 1 HOH +56 19 2 0.423800 32.988213 5.039510 20.667423 # 2 HOH +57 19 2 0.423800 31.868540 5.075915 21.693871 # 2 HOH +58 20 1 -0.847600 5.473116 17.042013 36.399075 # 1 HOH +59 20 2 0.423800 5.964545 16.253893 36.371822 # 2 HOH +60 20 2 0.423800 5.739239 17.511515 37.191074 # 2 HOH +61 21 1 -0.847600 8.437846 21.978668 28.687958 # 1 HOH +62 21 2 0.423800 7.710090 21.345985 28.301468 # 2 HOH +63 21 2 0.423800 8.173666 22.820778 28.450323 # 2 HOH +64 22 1 -0.847600 42.292797 23.050686 38.677719 # 1 HOH +65 22 2 0.423800 42.299057 24.014723 38.507290 # 2 HOH +66 22 2 0.423800 41.303864 22.847546 38.736225 # 2 HOH +67 23 1 -0.847600 10.774924 25.252993 35.287445 # 1 HOH +68 23 2 0.423800 11.516795 24.600752 35.188778 # 2 HOH +69 23 2 0.423800 10.770439 25.756178 34.374763 # 2 HOH +70 24 1 -0.847600 26.327442 6.653789 37.684452 # 1 HOH +71 24 2 0.423800 26.217192 7.451809 38.338184 # 2 HOH +72 24 2 0.423800 25.348747 6.528867 37.433559 # 2 HOH +73 25 1 -0.847600 15.597118 29.728689 32.191406 # 1 HOH +74 25 2 0.423800 15.456100 30.319048 31.381458 # 2 HOH +75 25 2 0.423800 16.607981 29.693363 32.149998 # 2 HOH +76 26 1 -0.847600 28.004911 23.197069 36.082024 # 1 HOH +77 26 2 0.423800 28.093021 23.235731 37.063168 # 2 HOH +78 26 2 0.423800 27.390030 23.938765 35.694019 # 2 HOH +79 27 1 -0.847600 13.410105 17.298082 41.452614 # 1 HOH +80 27 2 0.423800 12.712190 17.223497 42.220726 # 2 HOH +81 27 2 0.423800 13.951891 17.999302 41.742428 # 2 HOH +82 28 1 -0.847600 16.807261 7.395789 6.324262 # 1 HOH +83 28 2 0.423800 16.924004 6.356702 6.317758 # 2 HOH +84 28 2 0.423800 16.859062 7.596479 5.370432 # 2 HOH +85 29 1 -0.847600 21.828064 17.659800 41.785034 # 1 HOH +86 29 2 0.423800 22.526756 18.095156 41.113041 # 2 HOH +87 29 2 0.423800 21.039528 17.776539 41.189533 # 2 HOH +88 30 1 -0.847600 30.752449 18.280638 34.571884 # 1 HOH +89 30 2 0.423800 30.076820 17.544207 34.224773 # 2 HOH +90 30 2 0.423800 30.271437 18.674471 35.315620 # 2 HOH +91 31 1 -0.847600 27.490492 27.777979 30.298265 # 1 HOH +92 31 2 0.423800 27.054632 26.918764 30.191483 # 2 HOH +93 31 2 0.423800 26.635206 28.300348 30.243708 # 2 HOH +94 32 1 -0.847600 15.969090 28.978468 19.832230 # 1 HOH +95 32 2 0.423800 16.420383 28.998102 18.944866 # 2 HOH +96 32 2 0.423800 15.735588 28.004126 19.945288 # 2 HOH +97 33 1 -0.847600 36.102276 5.970028 39.954590 # 1 HOH +98 33 2 0.423800 36.183792 6.146680 38.960354 # 2 HOH +99 33 2 0.423800 36.047398 6.902387 40.312447 # 2 HOH +100 34 1 -0.847600 5.720575 38.827808 18.337057 # 1 HOH +101 34 2 0.423800 5.496545 38.715366 17.336103 # 2 HOH +102 34 2 0.423800 4.867625 38.620537 18.755863 # 2 HOH +103 35 1 -0.847600 16.415916 0.942274 19.155546 # 1 HOH +104 35 2 0.423800 16.814280 1.468297 18.295122 # 2 HOH +105 35 2 0.423800 15.827601 0.136895 18.841795 # 2 HOH +106 36 1 -0.847600 16.784670 26.921188 41.750526 # 1 HOH +107 36 2 0.423800 16.641277 27.871168 41.661259 # 2 HOH +108 36 2 0.423800 16.965691 26.459200 40.843758 # 2 HOH +109 37 1 -0.847600 7.966722 8.071460 30.007263 # 1 HOH +110 37 2 0.423800 7.110695 8.565837 29.752550 # 2 HOH +111 37 2 0.423800 8.543705 8.672572 30.522469 # 2 HOH +112 38 1 -0.847600 16.552273 17.266315 28.568810 # 1 HOH +113 38 2 0.423800 16.965118 16.346117 28.764605 # 2 HOH +114 38 2 0.423800 15.982608 17.410391 29.402237 # 2 HOH +115 39 1 -0.847600 16.668501 14.076698 40.853165 # 1 HOH +116 39 2 0.423800 16.580378 14.875076 41.538376 # 2 HOH +117 39 2 0.423800 16.071371 13.380177 41.178120 # 2 HOH +118 40 1 -0.847600 25.409735 30.956335 7.948528 # 1 HOH +119 40 2 0.423800 24.694834 31.121700 8.670961 # 2 HOH +120 40 2 0.423800 24.766417 30.644247 7.217937 # 2 HOH +121 41 1 -0.847600 33.483925 40.213432 1.241484 # 1 HOH +122 41 2 0.423800 32.884480 40.456158 2.039517 # 2 HOH +123 41 2 0.423800 33.505959 39.245766 1.237997 # 2 HOH +124 42 1 -0.847600 28.653292 12.820278 38.246689 # 1 HOH +125 42 2 0.423800 27.854353 13.028158 37.712276 # 2 HOH +126 42 2 0.423800 28.518747 11.777069 38.163952 # 2 HOH +127 43 1 -0.847600 10.046570 11.539218 41.711433 # 1 HOH +128 43 2 0.423800 10.782263 11.222692 40.984573 # 2 HOH +129 43 2 0.423800 10.416240 12.400233 42.094730 # 2 HOH +130 44 1 -0.847600 35.653751 25.883167 27.344843 # 1 HOH +131 44 2 0.423800 35.123722 26.487453 27.900007 # 2 HOH +132 44 2 0.423800 35.055878 25.228197 26.930866 # 2 HOH +133 45 1 -0.847600 -0.548247 15.204939 20.602112 # 1 HOH +134 45 2 0.423800 0.323838 15.711431 20.807741 # 2 HOH +135 45 2 0.423800 -0.553102 14.417007 21.198502 # 2 HOH +136 46 1 -0.847600 32.618694 8.977626 27.195173 # 1 HOH +137 46 2 0.423800 33.344040 9.497709 27.104689 # 2 HOH +138 46 2 0.423800 33.034492 8.081854 27.480732 # 2 HOH +139 47 1 -0.847600 2.611305 4.439379 3.290702 # 1 HOH +140 47 2 0.423800 3.135420 3.581938 3.195860 # 2 HOH +141 47 2 0.423800 1.784424 4.274089 3.678375 # 2 HOH +142 48 1 -0.847600 18.801195 30.411972 20.034040 # 1 HOH +143 48 2 0.423800 18.131937 30.234169 19.178913 # 2 HOH +144 48 2 0.423800 19.483994 31.132986 19.597160 # 2 HOH +145 49 1 -0.847600 31.952280 23.901278 3.323379 # 1 HOH +146 49 2 0.423800 31.768040 23.063421 2.868690 # 2 HOH +147 49 2 0.423800 32.410271 23.642912 4.189703 # 2 HOH +148 50 1 -0.847600 1.135034 27.459888 11.975813 # 1 HOH +149 50 2 0.423800 1.388250 28.259022 12.427155 # 2 HOH +150 50 2 0.423800 0.919216 26.731207 12.706549 # 2 HOH +151 51 1 -0.847600 5.357448 38.951004 15.564229 # 1 HOH +152 51 2 0.423800 6.222912 39.269409 15.377371 # 2 HOH +153 51 2 0.423800 4.630365 39.589779 15.281461 # 2 HOH +154 52 1 -0.847600 20.667622 28.615499 21.523487 # 1 HOH +155 52 2 0.423800 19.938616 29.140158 21.185793 # 2 HOH +156 52 2 0.423800 20.290371 27.654177 21.600391 # 2 HOH +157 53 1 -0.847600 41.121124 12.177470 31.238049 # 1 HOH +158 53 2 0.423800 40.461597 11.960847 30.422396 # 2 HOH +159 53 2 0.423800 40.901588 13.168847 31.469191 # 2 HOH +160 54 1 -0.847600 11.848022 35.862789 38.042553 # 1 HOH +161 54 2 0.423800 12.726222 36.316505 38.059391 # 2 HOH +162 54 2 0.423800 11.731122 35.524868 37.120441 # 2 HOH +163 55 1 -0.847600 21.009689 38.187489 11.798415 # 1 HOH +164 55 2 0.423800 21.028559 37.468212 11.029218 # 2 HOH +165 55 2 0.423800 20.002411 38.351650 12.065497 # 2 HOH +166 56 1 -0.847600 5.966248 11.922209 14.325064 # 1 HOH +167 56 2 0.423800 6.254121 11.065176 13.825796 # 2 HOH +168 56 2 0.423800 5.226942 12.256375 13.662217 # 2 HOH +169 57 1 -0.847600 26.735113 40.277683 33.996120 # 1 HOH +170 57 2 0.423800 27.385752 39.537003 34.129864 # 2 HOH +171 57 2 0.423800 26.542152 40.631844 34.913628 # 2 HOH +172 58 1 -0.847600 5.508463 28.290442 1.616997 # 1 HOH +173 58 2 0.423800 5.578849 27.325367 1.983962 # 2 HOH +174 58 2 0.423800 5.584611 28.827660 2.480973 # 2 HOH +175 59 1 -0.847600 20.609058 27.486383 32.927277 # 1 HOH +176 59 2 0.423800 21.514978 27.406435 33.414799 # 2 HOH +177 59 2 0.423800 20.575239 26.573582 32.514069 # 2 HOH +178 60 1 -0.847600 21.440531 15.156927 17.169605 # 1 HOH +179 60 2 0.423800 21.923616 14.529002 17.738642 # 2 HOH +180 60 2 0.423800 22.160778 15.846369 16.942883 # 2 HOH +181 61 1 -0.847600 31.724079 14.923033 30.981596 # 1 HOH +182 61 2 0.423800 32.130371 15.631282 31.523598 # 2 HOH +183 61 2 0.423800 31.096504 14.359145 31.631834 # 2 HOH +184 62 1 -0.847600 1.149236 3.810007 36.699516 # 1 HOH +185 62 2 0.423800 1.653837 3.052835 37.238140 # 2 HOH +186 62 2 0.423800 0.171990 3.445978 36.667774 # 2 HOH +187 63 1 -0.847600 28.730028 23.321398 38.803452 # 1 HOH +188 63 2 0.423800 29.135321 24.243956 38.891674 # 2 HOH +189 63 2 0.423800 28.924334 22.839890 39.589611 # 2 HOH +190 64 1 -0.847600 18.934244 9.560071 0.725217 # 1 HOH +191 64 2 0.423800 18.943293 10.278687 1.379912 # 2 HOH +192 64 2 0.423800 19.419058 8.912718 1.263571 # 2 HOH +193 65 1 -0.847600 18.558552 41.173088 18.048664 # 1 HOH +194 65 2 0.423800 18.226416 41.459724 18.925838 # 2 HOH +195 65 2 0.423800 18.070082 41.859684 17.474464 # 2 HOH +196 66 1 -0.847600 29.434381 26.444155 12.521578 # 1 HOH +197 66 2 0.423800 29.908020 27.288956 12.770505 # 2 HOH +198 66 2 0.423800 30.010654 25.879356 11.982236 # 2 HOH +199 67 1 -0.847600 11.263639 32.304020 3.120730 # 1 HOH +200 67 2 0.423800 11.316545 31.621315 2.342325 # 2 HOH +201 67 2 0.423800 10.318073 32.214420 3.469967 # 2 HOH +202 68 1 -0.847600 21.800474 37.009815 22.470142 # 1 HOH +203 68 2 0.423800 21.311390 37.820068 22.004080 # 2 HOH +204 68 2 0.423800 21.110521 36.602451 23.093925 # 2 HOH +205 69 1 -0.847600 39.329460 11.976755 29.065363 # 1 HOH +206 69 2 0.423800 38.808090 12.703086 28.694263 # 2 HOH +207 69 2 0.423800 38.551380 11.451590 29.576635 # 2 HOH +208 70 1 -0.847600 22.176832 19.266085 22.583202 # 1 HOH +209 70 2 0.423800 22.541790 19.864946 23.289928 # 2 HOH +210 70 2 0.423800 22.614994 19.628500 21.706100 # 2 HOH +211 71 1 -0.847600 42.280354 3.864535 14.834166 # 1 HOH +212 71 2 0.423800 42.211906 3.026664 15.247860 # 2 HOH +213 71 2 0.423800 42.983330 3.651817 14.139674 # 2 HOH +214 72 1 -0.847600 20.156996 26.901205 41.182774 # 1 HOH +215 72 2 0.423800 20.828714 27.580965 40.811382 # 2 HOH +216 72 2 0.423800 19.803358 27.394854 42.060463 # 2 HOH +217 73 1 -0.847600 39.334938 28.118788 33.800438 # 1 HOH +218 73 2 0.423800 39.416519 29.121283 33.892349 # 2 HOH +219 73 2 0.423800 40.242188 27.888824 33.635292 # 2 HOH +220 74 1 -0.847600 20.477568 4.669281 6.816263 # 1 HOH +221 74 2 0.423800 19.977669 4.496701 5.959905 # 2 HOH +222 74 2 0.423800 19.847322 4.726154 7.512114 # 2 HOH +223 75 1 -0.847600 29.116110 8.494485 2.162089 # 1 HOH +224 75 2 0.423800 29.164970 7.518121 2.161613 # 2 HOH +225 75 2 0.423800 30.024920 8.920270 1.785953 # 2 HOH +226 76 1 -0.847600 13.441463 39.717026 11.057286 # 1 HOH +227 76 2 0.423800 13.025355 39.040958 10.448171 # 2 HOH +228 76 2 0.423800 13.931234 40.373104 10.444554 # 2 HOH +229 77 1 -0.847600 15.828539 15.838072 38.981186 # 1 HOH +230 77 2 0.423800 16.315754 15.000303 39.380882 # 2 HOH +231 77 2 0.423800 16.534697 16.449877 38.681232 # 2 HOH +232 78 1 -0.847600 16.844347 41.365280 34.175873 # 1 HOH +233 78 2 0.423800 16.331186 42.164768 33.793610 # 2 HOH +234 78 2 0.423800 16.816893 40.752655 33.382660 # 2 HOH +235 79 1 -0.847600 11.116525 3.494110 37.871288 # 1 HOH +236 79 2 0.423800 11.830621 2.755606 38.003899 # 2 HOH +237 79 2 0.423800 10.931121 3.458101 36.871857 # 2 HOH +238 80 1 -0.847600 41.597549 24.258427 20.676508 # 1 HOH +239 80 2 0.423800 41.289959 24.153070 19.723438 # 2 HOH +240 80 2 0.423800 41.272095 23.459894 21.215012 # 2 HOH +241 81 1 -0.847600 34.794640 44.775414 6.424398 # 1 HOH +242 81 2 0.423800 35.599426 44.166687 6.702456 # 2 HOH +243 81 2 0.423800 34.063557 44.191303 6.692409 # 2 HOH +244 82 1 -0.847600 15.429429 30.551096 22.506077 # 1 HOH +245 82 2 0.423800 15.693251 29.645905 22.062181 # 2 HOH +246 82 2 0.423800 15.763194 30.469845 23.444736 # 2 HOH +247 83 1 -0.847600 34.791245 30.889296 5.156526 # 1 HOH +248 83 2 0.423800 35.433895 31.345890 5.799815 # 2 HOH +249 83 2 0.423800 34.427021 30.046255 5.628234 # 2 HOH +250 84 1 -0.847600 26.543306 30.580400 4.605048 # 1 HOH +251 84 2 0.423800 26.598444 29.861851 3.999649 # 2 HOH +252 84 2 0.423800 25.583916 30.896490 4.497307 # 2 HOH +253 85 1 -0.847600 20.177525 2.517516 19.223232 # 1 HOH +254 85 2 0.423800 21.182302 2.298233 19.315336 # 2 HOH +255 85 2 0.423800 20.081591 2.993973 18.316135 # 2 HOH +256 86 1 -0.847600 29.622986 34.373795 10.702138 # 1 HOH +257 86 2 0.423800 28.942268 33.939827 10.250747 # 2 HOH +258 86 2 0.423800 29.911583 35.124729 9.961027 # 2 HOH +259 87 1 -0.847600 10.342024 42.484207 17.187094 # 1 HOH +260 87 2 0.423800 10.652626 41.588848 17.508198 # 2 HOH +261 87 2 0.423800 9.768126 42.757275 17.884497 # 2 HOH +262 88 1 -0.847600 40.906048 44.048847 28.452866 # 1 HOH +263 88 2 0.423800 41.385147 43.679665 29.310118 # 2 HOH +264 88 2 0.423800 40.900661 43.357433 27.756210 # 2 HOH +265 89 1 -0.847600 31.640003 36.885368 3.553436 # 1 HOH +266 89 2 0.423800 31.889996 36.131687 4.054080 # 2 HOH +267 89 2 0.423800 31.588446 37.712097 4.280457 # 2 HOH +268 90 1 -0.847600 6.407402 33.791821 18.807016 # 1 HOH +269 90 2 0.423800 6.818549 33.437057 19.614544 # 2 HOH +270 90 2 0.423800 5.947599 33.163944 18.220608 # 2 HOH +271 91 1 -0.847600 34.212425 30.400927 31.443689 # 1 HOH +272 91 2 0.423800 34.933853 29.779369 31.237585 # 2 HOH +273 91 2 0.423800 33.553867 29.716551 31.869047 # 2 HOH +274 92 1 -0.847600 21.452299 19.173872 30.952581 # 1 HOH +275 92 2 0.423800 22.238682 19.728106 30.796888 # 2 HOH +276 92 2 0.423800 21.586681 18.561541 30.214306 # 2 HOH +277 93 1 -0.847600 32.013393 18.856598 19.234314 # 1 HOH +278 93 2 0.423800 32.769722 19.387442 19.208731 # 2 HOH +279 93 2 0.423800 31.803795 18.714939 18.281250 # 2 HOH +280 94 1 -0.847600 6.038808 17.935822 32.145054 # 1 HOH +281 94 2 0.423800 5.525455 17.064749 32.116657 # 2 HOH +282 94 2 0.423800 5.358363 18.722912 32.282364 # 2 HOH +283 95 1 -0.847600 20.163996 35.066086 41.341801 # 1 HOH +284 95 2 0.423800 21.105658 34.519073 41.386780 # 2 HOH +285 95 2 0.423800 20.346016 35.819942 40.664970 # 2 HOH +286 96 1 -0.847600 28.244854 9.993969 37.496502 # 1 HOH +287 96 2 0.423800 28.272690 10.146749 36.521370 # 2 HOH +288 96 2 0.423800 28.907412 9.278765 37.581879 # 2 HOH +289 97 1 -0.847600 5.763374 36.168503 15.773867 # 1 HOH +290 97 2 0.423800 5.140004 35.532761 16.285149 # 2 HOH +291 97 2 0.423800 5.454902 37.057430 15.634244 # 2 HOH +292 98 1 -0.847600 37.194920 24.635902 24.820835 # 1 HOH +293 98 2 0.423800 36.657619 25.466791 24.559444 # 2 HOH +294 98 2 0.423800 37.988384 24.658039 24.257280 # 2 HOH +295 99 1 -0.847600 2.439025 7.288449 16.894455 # 1 HOH +296 99 2 0.423800 2.358008 8.276717 17.083002 # 2 HOH +297 99 2 0.423800 1.599154 6.805129 17.087191 # 2 HOH +298 100 1 -0.847600 1.579055 12.821956 32.341496 # 1 HOH +299 100 2 0.423800 1.857099 13.174990 31.457663 # 2 HOH +300 100 2 0.423800 1.226959 11.887529 32.017918 # 2 HOH +301 101 1 -0.847600 10.115497 29.705357 5.394606 # 1 HOH +302 101 2 0.423800 10.945769 29.562677 5.763708 # 2 HOH +303 101 2 0.423800 10.113437 30.618010 4.954411 # 2 HOH +304 102 1 -0.847600 12.596597 10.142738 33.383183 # 1 HOH +305 102 2 0.423800 12.025639 10.811570 33.808537 # 2 HOH +306 102 2 0.423800 12.710472 10.354971 32.438110 # 2 HOH +307 103 1 -0.847600 38.734188 15.623211 4.441204 # 1 HOH +308 103 2 0.423800 38.150597 14.797568 4.235572 # 2 HOH +309 103 2 0.423800 38.535263 15.786056 5.443413 # 2 HOH +310 104 1 -0.847600 12.960572 2.521486 30.415953 # 1 HOH +311 104 2 0.423800 12.490244 2.353202 31.336891 # 2 HOH +312 104 2 0.423800 13.851785 2.182249 30.474270 # 2 HOH +313 105 1 -0.847600 8.429859 30.633755 36.029907 # 1 HOH +314 105 2 0.423800 8.407792 31.430285 35.395275 # 2 HOH +315 105 2 0.423800 7.709400 29.926268 35.801167 # 2 HOH +316 106 1 -0.847600 33.296936 36.889683 32.451366 # 1 HOH +317 106 2 0.423800 33.975227 36.783108 33.204483 # 2 HOH +318 106 2 0.423800 33.226437 36.004280 32.119366 # 2 HOH +319 107 1 -0.847600 38.723251 42.858784 22.133497 # 1 HOH +320 107 2 0.423800 38.785225 43.840931 22.287350 # 2 HOH +321 107 2 0.423800 39.285320 42.516060 22.931444 # 2 HOH +322 108 1 -0.847600 15.365071 26.216852 19.752441 # 1 HOH +323 108 2 0.423800 15.930799 25.474224 20.043520 # 2 HOH +324 108 2 0.423800 14.572714 25.721081 19.223175 # 2 HOH +325 109 1 -0.847600 3.602301 1.434459 9.799889 # 1 HOH +326 109 2 0.423800 4.419480 1.279305 9.249063 # 2 HOH +327 109 2 0.423800 3.859449 2.035885 10.551698 # 2 HOH +328 110 1 -0.847600 18.908916 42.039162 14.378214 # 1 HOH +329 110 2 0.423800 18.310555 42.385941 15.065434 # 2 HOH +330 110 2 0.423800 19.135822 41.107319 14.637974 # 2 HOH +331 111 1 -0.847600 4.347455 35.706860 37.517982 # 1 HOH +332 111 2 0.423800 4.888671 36.308674 36.829956 # 2 HOH +333 111 2 0.423800 3.351423 35.578495 37.092617 # 2 HOH +334 112 1 -0.847600 22.373125 11.545109 8.828434 # 1 HOH +335 112 2 0.423800 22.753870 10.959077 9.546064 # 2 HOH +336 112 2 0.423800 22.493368 10.933389 8.018517 # 2 HOH +337 113 1 -0.847600 41.026726 2.877484 2.798272 # 1 HOH +338 113 2 0.423800 41.432308 3.481871 2.139751 # 2 HOH +339 113 2 0.423800 40.175781 2.563466 2.374233 # 2 HOH +340 114 1 -0.847600 29.858232 40.858280 1.611038 # 1 HOH +341 114 2 0.423800 29.499134 40.042648 1.219472 # 2 HOH +342 114 2 0.423800 30.305811 41.206562 0.775506 # 2 HOH +343 115 1 -0.847600 36.338326 5.319950 10.028456 # 1 HOH +344 115 2 0.423800 36.475063 4.757140 10.834549 # 2 HOH +345 115 2 0.423800 36.828899 4.786736 9.362170 # 2 HOH +346 116 1 -0.847600 31.436232 13.568652 38.075081 # 1 HOH +347 116 2 0.423800 30.551216 13.171041 37.997364 # 2 HOH +348 116 2 0.423800 31.511494 13.731726 39.084297 # 2 HOH +349 117 1 -0.847600 8.258945 2.778619 13.069117 # 1 HOH +350 117 2 0.423800 8.522086 1.896205 12.779465 # 2 HOH +351 117 2 0.423800 8.032570 3.320496 12.255549 # 2 HOH +352 118 1 -0.847600 31.890425 24.355993 15.246720 # 1 HOH +353 118 2 0.423800 31.959831 23.709751 16.064753 # 2 HOH +354 118 2 0.423800 31.891287 23.801600 14.398400 # 2 HOH +355 119 1 -0.847600 11.215718 9.495967 2.386472 # 1 HOH +356 119 2 0.423800 12.022473 9.743802 2.908615 # 2 HOH +357 119 2 0.423800 10.446377 9.913689 2.901115 # 2 HOH +358 120 1 -0.847600 40.931290 14.157115 33.182690 # 1 HOH +359 120 2 0.423800 41.115894 13.420421 33.887306 # 2 HOH +360 120 2 0.423800 41.603874 14.830050 33.396996 # 2 HOH +361 121 1 -0.847600 11.749092 7.162755 25.490347 # 1 HOH +362 121 2 0.423800 12.720798 7.368538 25.797031 # 2 HOH +363 121 2 0.423800 11.773787 6.674043 24.673950 # 2 HOH +364 122 1 -0.847600 8.329363 38.998234 15.898308 # 1 HOH +365 122 2 0.423800 9.296144 39.285000 15.958874 # 2 HOH +366 122 2 0.423800 8.398667 38.092861 15.558126 # 2 HOH +367 123 1 -0.847600 22.172462 40.706848 35.451431 # 1 HOH +368 123 2 0.423800 21.977842 41.759914 35.674194 # 2 HOH +369 123 2 0.423800 23.178894 40.607918 35.636909 # 2 HOH +370 124 1 -0.847600 29.797634 0.758842 15.276471 # 1 HOH +371 124 2 0.423800 30.411030 0.417337 14.593693 # 2 HOH +372 124 2 0.423800 29.458246 -0.018381 15.703762 # 2 HOH +373 125 1 -0.847600 35.536751 8.453000 32.454750 # 1 HOH +374 125 2 0.423800 34.570660 8.222540 32.267406 # 2 HOH +375 125 2 0.423800 35.912720 7.851268 31.761545 # 2 HOH +376 126 1 -0.847600 38.577892 2.722229 20.575012 # 1 HOH +377 126 2 0.423800 39.325027 2.495992 20.926876 # 2 HOH +378 126 2 0.423800 38.337067 3.681256 20.988388 # 2 HOH +379 127 1 -0.847600 17.943876 29.921930 34.937225 # 1 HOH +380 127 2 0.423800 17.853664 28.928829 35.106735 # 2 HOH +381 127 2 0.423800 17.829559 30.379972 35.872536 # 2 HOH +382 128 1 -0.847600 0.939255 17.681828 30.259712 # 1 HOH +383 128 2 0.423800 1.245880 17.433119 31.212414 # 2 HOH +384 128 2 0.423800 1.380331 17.011383 29.602869 # 2 HOH +385 129 1 -0.847600 15.137974 10.249152 1.092545 # 1 HOH +386 129 2 0.423800 15.367375 11.000154 1.592346 # 2 HOH +387 129 2 0.423800 14.255471 10.402357 0.795834 # 2 HOH +388 130 1 -0.847600 23.348001 0.281552 22.464499 # 1 HOH +389 130 2 0.423800 22.411266 0.078814 22.324299 # 2 HOH +390 130 2 0.423800 23.396267 0.996346 23.260914 # 2 HOH +391 131 1 -0.847600 17.321110 20.723326 29.333315 # 1 HOH +392 131 2 0.423800 17.851606 20.160799 29.944807 # 2 HOH +393 131 2 0.423800 16.281740 20.575804 29.553804 # 2 HOH +394 132 1 -0.847600 28.616383 35.829750 35.785648 # 1 HOH +395 132 2 0.423800 29.140293 35.774113 35.031311 # 2 HOH +396 132 2 0.423800 28.480530 34.929157 36.229080 # 2 HOH +397 133 1 -0.847600 24.749561 35.123177 42.285751 # 1 HOH +398 133 2 0.423800 24.694075 35.943287 41.628727 # 2 HOH +399 133 2 0.423800 25.565889 34.661221 42.116447 # 2 HOH +400 134 1 -0.847600 36.200993 14.755971 17.201187 # 1 HOH +401 134 2 0.423800 35.821373 14.620228 16.277582 # 2 HOH +402 134 2 0.423800 37.071655 14.965211 17.027666 # 2 HOH +403 135 1 -0.847600 29.660780 21.212088 24.601809 # 1 HOH +404 135 2 0.423800 29.367867 20.244753 24.885418 # 2 HOH +405 135 2 0.423800 29.210100 21.828657 25.309032 # 2 HOH +406 136 1 -0.847600 7.196249 19.639906 10.998402 # 1 HOH +407 136 2 0.423800 7.570899 18.879299 11.447495 # 2 HOH +408 136 2 0.423800 6.332215 19.850760 11.502133 # 2 HOH +409 137 1 -0.847600 18.937286 24.193771 5.296522 # 1 HOH +410 137 2 0.423800 19.198721 23.323706 5.731624 # 2 HOH +411 137 2 0.423800 18.305237 23.867050 4.500384 # 2 HOH +412 138 1 -0.847600 13.574206 17.187679 13.546146 # 1 HOH +413 138 2 0.423800 14.310184 16.670849 14.128127 # 2 HOH +414 138 2 0.423800 13.038297 17.729813 14.289101 # 2 HOH +415 139 1 -0.847600 22.140789 31.088169 39.972603 # 1 HOH +416 139 2 0.423800 21.960117 30.509235 40.819458 # 2 HOH +417 139 2 0.423800 22.624056 30.459391 39.365997 # 2 HOH +418 140 1 -0.847600 7.854617 0.845793 0.881946 # 1 HOH +419 140 2 0.423800 7.066267 0.218004 0.455265 # 2 HOH +420 140 2 0.423800 8.671465 0.232326 0.884641 # 2 HOH +421 141 1 -0.847600 43.467300 18.358995 15.107487 # 1 HOH +422 141 2 0.423800 42.823360 18.222694 15.895147 # 2 HOH +423 141 2 0.423800 44.258255 17.707809 15.275771 # 2 HOH +424 142 1 -0.847600 25.203115 20.304995 4.041073 # 1 HOH +425 142 2 0.423800 24.660715 20.516514 3.265715 # 2 HOH +426 142 2 0.423800 24.919699 19.347563 4.243283 # 2 HOH +427 143 1 -0.847600 8.978946 22.363438 20.703285 # 1 HOH +428 143 2 0.423800 8.944152 22.818018 19.728865 # 2 HOH +429 143 2 0.423800 9.340469 21.453154 20.639166 # 2 HOH +430 144 1 -0.847600 19.458637 36.044193 23.457596 # 1 HOH +431 144 2 0.423800 18.862566 35.358593 23.182968 # 2 HOH +432 144 2 0.423800 19.560467 35.613667 24.391380 # 2 HOH +433 145 1 -0.847600 38.579552 28.412355 7.420057 # 1 HOH +434 145 2 0.423800 37.890877 28.968338 8.027102 # 2 HOH +435 145 2 0.423800 39.002228 27.855856 8.128367 # 2 HOH +436 146 1 -0.847600 7.079987 25.386477 38.770103 # 1 HOH +437 146 2 0.423800 8.018229 25.859911 39.084911 # 2 HOH +438 146 2 0.423800 7.259980 24.441238 38.710400 # 2 HOH +439 147 1 -0.847600 26.908495 3.726860 1.799885 # 1 HOH +440 147 2 0.423800 26.774286 2.746995 2.042992 # 2 HOH +441 147 2 0.423800 26.840841 4.231597 2.580089 # 2 HOH +442 148 1 -0.847600 15.919904 7.548346 37.650677 # 1 HOH +443 148 2 0.423800 15.026273 7.646328 37.911316 # 2 HOH +444 148 2 0.423800 16.011084 6.600311 37.417088 # 2 HOH +445 149 1 -0.847600 29.921600 25.741127 5.571230 # 1 HOH +446 149 2 0.423800 29.659452 25.844233 6.481451 # 2 HOH +447 149 2 0.423800 29.252457 26.225653 5.145398 # 2 HOH +448 150 1 -0.847600 17.958139 39.050896 15.779331 # 1 HOH +449 150 2 0.423800 17.778006 38.108135 16.079231 # 2 HOH +450 150 2 0.423800 17.992634 39.554543 16.639935 # 2 HOH +451 151 1 -0.847600 36.993965 1.351354 22.938824 # 1 HOH +452 151 2 0.423800 36.701870 1.821704 22.078411 # 2 HOH +453 151 2 0.423800 36.216431 1.586713 23.594948 # 2 HOH +454 152 1 -0.847600 28.281796 18.298700 14.349728 # 1 HOH +455 152 2 0.423800 29.184826 18.639967 13.890254 # 2 HOH +456 152 2 0.423800 28.088093 17.403868 13.894625 # 2 HOH +457 153 1 -0.847600 34.466759 23.314512 4.314411 # 1 HOH +458 153 2 0.423800 35.281197 23.938625 3.991261 # 2 HOH +459 153 2 0.423800 34.615868 22.372412 3.993580 # 2 HOH +460 154 1 -0.847600 8.090372 33.429470 7.685295 # 1 HOH +461 154 2 0.423800 7.539731 34.220341 7.350996 # 2 HOH +462 154 2 0.423800 7.632710 32.646381 7.227554 # 2 HOH +463 155 1 -0.847600 29.065859 15.224756 12.003602 # 1 HOH +464 155 2 0.423800 29.470291 15.773654 11.243046 # 2 HOH +465 155 2 0.423800 29.718887 14.462002 12.089466 # 2 HOH +466 156 1 -0.847600 34.359772 43.022846 9.836211 # 1 HOH +467 156 2 0.423800 34.936943 42.986965 10.692319 # 2 HOH +468 156 2 0.423800 34.416733 42.140831 9.435148 # 2 HOH +469 157 1 -0.847600 12.414637 36.223282 -0.243399 # 1 HOH +470 157 2 0.423800 12.892274 36.932011 -0.778888 # 2 HOH +471 157 2 0.423800 11.756246 36.867222 0.271588 # 2 HOH +472 158 1 -0.847600 30.008665 12.561973 16.649376 # 1 HOH +473 158 2 0.423800 29.289858 13.199651 16.169390 # 2 HOH +474 158 2 0.423800 29.458107 11.739431 16.601086 # 2 HOH +475 159 1 -0.847600 35.298454 14.864995 29.631615 # 1 HOH +476 159 2 0.423800 35.058323 14.545375 28.727978 # 2 HOH +477 159 2 0.423800 35.150810 14.059500 30.219994 # 2 HOH +478 160 1 -0.847600 36.883389 17.543301 15.806606 # 1 HOH +479 160 2 0.423800 37.541897 17.882368 15.135942 # 2 HOH +480 160 2 0.423800 37.020809 16.581190 15.637719 # 2 HOH +481 161 1 -0.847600 42.622700 19.405596 0.138008 # 1 HOH +482 161 2 0.423800 41.745495 18.896259 0.099751 # 2 HOH +483 161 2 0.423800 42.511314 20.169241 -0.461330 # 2 HOH +484 162 1 -0.847600 6.035340 10.307486 25.487720 # 1 HOH +485 162 2 0.423800 5.232765 9.830946 25.903687 # 2 HOH +486 162 2 0.423800 5.973551 11.264205 25.855164 # 2 HOH +487 163 1 -0.847600 37.439278 4.387927 29.742941 # 1 HOH +488 163 2 0.423800 37.730968 4.082646 28.769964 # 2 HOH +489 163 2 0.423800 38.237206 3.965438 30.239168 # 2 HOH +490 164 1 -0.847600 42.054695 35.637390 13.286859 # 1 HOH +491 164 2 0.423800 42.507462 36.089016 14.001572 # 2 HOH +492 164 2 0.423800 42.448658 36.044617 12.389736 # 2 HOH +493 165 1 -0.847600 40.857338 30.005278 6.393475 # 1 HOH +494 165 2 0.423800 41.307167 29.646837 7.202075 # 2 HOH +495 165 2 0.423800 40.140026 30.602966 6.671321 # 2 HOH +496 166 1 -0.847600 23.183819 14.822323 7.599269 # 1 HOH +497 166 2 0.423800 22.496908 14.295855 8.167264 # 2 HOH +498 166 2 0.423800 23.389746 15.701707 7.987698 # 2 HOH +499 167 1 -0.847600 2.269901 11.985176 1.586535 # 1 HOH +500 167 2 0.423800 1.861616 12.183292 0.741146 # 2 HOH +501 167 2 0.423800 3.253698 12.224620 1.513406 # 2 HOH +502 168 1 -0.847600 9.540971 43.676006 5.843997 # 1 HOH +503 168 2 0.423800 9.439894 44.582020 6.194085 # 2 HOH +504 168 2 0.423800 9.622688 43.874817 4.918426 # 2 HOH +505 169 1 -0.847600 35.085972 8.595784 40.367973 # 1 HOH +506 169 2 0.423800 35.514454 9.444643 39.672184 # 2 HOH +507 169 2 0.423800 35.238983 8.981905 41.264450 # 2 HOH +508 170 1 -0.847600 28.360388 23.767351 24.060463 # 1 HOH +509 170 2 0.423800 28.502754 22.801003 23.787104 # 2 HOH +510 170 2 0.423800 27.330534 23.802139 24.104813 # 2 HOH +511 171 1 -0.847600 16.341616 38.173294 5.448533 # 1 HOH +512 171 2 0.423800 16.403093 38.693211 4.657805 # 2 HOH +513 171 2 0.423800 15.957778 37.403290 5.053288 # 2 HOH +514 172 1 -0.847600 39.960983 9.714622 1.960361 # 1 HOH +515 172 2 0.423800 39.276913 9.044076 2.154618 # 2 HOH +516 172 2 0.423800 39.734310 10.149756 1.032808 # 2 HOH +517 173 1 -0.847600 27.961176 25.322693 21.315531 # 1 HOH +518 173 2 0.423800 27.089483 24.995283 21.458088 # 2 HOH +519 173 2 0.423800 28.335714 25.528248 22.142090 # 2 HOH +520 174 1 -0.847600 4.286914 2.815549 31.384312 # 1 HOH +521 174 2 0.423800 3.772201 3.667238 31.204790 # 2 HOH +522 174 2 0.423800 4.532142 2.951286 32.412308 # 2 HOH +523 175 1 -0.847600 26.717609 16.252001 31.730103 # 1 HOH +524 175 2 0.423800 27.179005 16.518068 30.861845 # 2 HOH +525 175 2 0.423800 26.519127 17.153227 32.073441 # 2 HOH +526 176 1 -0.847600 3.346003 17.493147 26.612953 # 1 HOH +527 176 2 0.423800 3.376467 17.340572 25.583374 # 2 HOH +528 176 2 0.423800 2.899706 18.353115 26.729177 # 2 HOH +529 177 1 -0.847600 40.657276 42.685368 20.173279 # 1 HOH +530 177 2 0.423800 40.780045 41.692493 20.191452 # 2 HOH +531 177 2 0.423800 39.887398 42.900997 20.873678 # 2 HOH +532 178 1 -0.847600 0.883162 30.747416 22.251850 # 1 HOH +533 178 2 0.423800 0.396705 30.203489 21.623798 # 2 HOH +534 178 2 0.423800 1.849000 30.440777 22.222057 # 2 HOH +535 179 1 -0.847600 7.379095 19.703444 37.667988 # 1 HOH +536 179 2 0.423800 8.248013 19.378733 38.105991 # 2 HOH +537 179 2 0.423800 6.829398 19.788126 38.414108 # 2 HOH +538 180 1 -0.847600 17.139183 23.873539 31.804396 # 1 HOH +539 180 2 0.423800 17.146761 23.876631 30.787392 # 2 HOH +540 180 2 0.423800 16.185076 24.178112 32.037571 # 2 HOH +541 181 1 -0.847600 16.828348 12.533323 27.266665 # 1 HOH +542 181 2 0.423800 16.061201 12.459520 26.628424 # 2 HOH +543 181 2 0.423800 17.576576 12.249744 26.733027 # 2 HOH +544 182 1 -0.847600 7.143699 29.168674 22.261061 # 1 HOH +545 182 2 0.423800 7.248992 29.727137 21.468500 # 2 HOH +546 182 2 0.423800 7.699699 28.356670 21.893702 # 2 HOH +547 183 1 -0.847600 33.913723 39.617405 16.237026 # 1 HOH +548 183 2 0.423800 33.666904 39.181293 15.341360 # 2 HOH +549 183 2 0.423800 33.074120 39.607040 16.815722 # 2 HOH +550 184 1 -0.847600 26.822634 18.666136 26.005482 # 1 HOH +551 184 2 0.423800 27.766447 18.423582 25.703703 # 2 HOH +552 184 2 0.423800 26.321356 17.939232 25.588219 # 2 HOH +553 185 1 -0.847600 21.036669 37.550941 0.821552 # 1 HOH +554 185 2 0.423800 21.350817 36.922775 0.069486 # 2 HOH +555 185 2 0.423800 21.537943 37.086590 1.557442 # 2 HOH +556 186 1 -0.847600 25.137173 16.512140 15.446751 # 1 HOH +557 186 2 0.423800 25.951448 16.431166 14.905284 # 2 HOH +558 186 2 0.423800 25.452440 16.458481 16.396252 # 2 HOH +559 187 1 -0.847600 8.236081 42.940289 33.276161 # 1 HOH +560 187 2 0.423800 8.366669 42.775249 34.235462 # 2 HOH +561 187 2 0.423800 9.092807 42.571552 32.981133 # 2 HOH +562 188 1 -0.847600 8.107644 36.357323 14.311992 # 1 HOH +563 188 2 0.423800 8.276974 36.297668 13.278166 # 2 HOH +564 188 2 0.423800 7.155531 36.142933 14.355633 # 2 HOH +565 189 1 -0.847600 37.814011 35.022392 34.866310 # 1 HOH +566 189 2 0.423800 37.048706 35.624897 34.684841 # 2 HOH +567 189 2 0.423800 37.892857 34.500584 33.966400 # 2 HOH +568 190 1 -0.847600 25.353991 39.801449 18.129370 # 1 HOH +569 190 2 0.423800 25.264690 39.203014 17.313253 # 2 HOH +570 190 2 0.423800 25.472666 39.269821 18.977480 # 2 HOH +571 191 1 -0.847600 9.421828 6.834302 21.055927 # 1 HOH +572 191 2 0.423800 8.557835 7.155821 20.594116 # 2 HOH +573 191 2 0.423800 8.937868 6.398616 21.908834 # 2 HOH +574 192 1 -0.847600 -0.202238 -0.439305 9.212754 # 1 HOH +575 192 2 0.423800 0.220330 0.415502 9.685923 # 2 HOH +576 192 2 0.423800 -0.537564 -1.041323 9.975074 # 2 HOH +577 193 1 -0.847600 33.144630 10.528390 30.208574 # 1 HOH +578 193 2 0.423800 33.899624 10.451182 29.497568 # 2 HOH +579 193 2 0.423800 32.954483 9.609922 30.601580 # 2 HOH +580 194 1 -0.847600 24.982328 16.076145 29.067896 # 1 HOH +581 194 2 0.423800 24.520926 15.827041 29.820103 # 2 HOH +582 194 2 0.423800 25.859850 16.252634 29.354464 # 2 HOH +583 195 1 -0.847600 31.419010 30.863047 22.321020 # 1 HOH +584 195 2 0.423800 32.096497 30.324987 22.793703 # 2 HOH +585 195 2 0.423800 30.488106 30.595613 22.607113 # 2 HOH +586 196 1 -0.847600 24.823553 34.306496 30.947487 # 1 HOH +587 196 2 0.423800 25.580185 34.050388 31.546785 # 2 HOH +588 196 2 0.423800 25.419397 34.440422 30.159575 # 2 HOH +589 197 1 -0.847600 37.021660 41.040401 9.546360 # 1 HOH +590 197 2 0.423800 36.673340 40.616440 8.766980 # 2 HOH +591 197 2 0.423800 36.468025 40.625900 10.342937 # 2 HOH +592 198 1 -0.847600 10.836522 16.760241 37.953758 # 1 HOH +593 198 2 0.423800 9.916456 16.706966 37.493233 # 2 HOH +594 198 2 0.423800 11.218208 15.799645 37.631344 # 2 HOH +595 199 1 -0.847600 19.857109 24.823462 32.096008 # 1 HOH +596 199 2 0.423800 18.943960 24.413664 31.947943 # 2 HOH +597 199 2 0.423800 20.415190 24.178165 32.637741 # 2 HOH +598 200 1 -0.847600 12.020701 6.193352 29.924513 # 1 HOH +599 200 2 0.423800 12.721287 5.947112 30.512054 # 2 HOH +600 200 2 0.423800 11.266722 5.608352 30.171614 # 2 HOH +601 201 1 -0.847600 22.345243 43.983971 15.949494 # 1 HOH +602 201 2 0.423800 21.396193 43.864567 16.266069 # 2 HOH +603 201 2 0.423800 22.306875 43.564663 15.037998 # 2 HOH +604 202 1 -0.847600 25.185503 29.105484 31.033373 # 1 HOH +605 202 2 0.423800 25.347803 30.015352 31.333614 # 2 HOH +606 202 2 0.423800 24.322210 29.087805 30.522549 # 2 HOH +607 203 1 -0.847600 28.357147 42.474438 3.242348 # 1 HOH +608 203 2 0.423800 29.109274 42.912159 3.624089 # 2 HOH +609 203 2 0.423800 28.794804 41.877239 2.540973 # 2 HOH +610 204 1 -0.847600 25.085323 18.490480 1.098202 # 1 HOH +611 204 2 0.423800 25.001026 17.396261 1.137232 # 2 HOH +612 204 2 0.423800 26.062078 18.664719 0.837007 # 2 HOH +613 205 1 -0.847600 24.297499 43.670216 32.154587 # 1 HOH +614 205 2 0.423800 25.323351 44.053680 32.361652 # 2 HOH +615 205 2 0.423800 23.705683 44.419094 32.608658 # 2 HOH +616 206 1 -0.847600 39.703300 18.136585 6.604984 # 1 HOH +617 206 2 0.423800 40.374363 17.563131 6.145611 # 2 HOH +618 206 2 0.423800 39.727734 17.727148 7.550422 # 2 HOH +619 207 1 -0.847600 32.605549 19.294580 3.081111 # 1 HOH +620 207 2 0.423800 33.326736 18.584873 3.330940 # 2 HOH +621 207 2 0.423800 33.214630 20.066910 2.982295 # 2 HOH +622 208 1 -0.847600 19.603600 17.145842 16.954693 # 1 HOH +623 208 2 0.423800 20.315580 16.368801 17.075720 # 2 HOH +624 208 2 0.423800 20.007809 17.840658 17.576019 # 2 HOH +625 209 1 -0.847600 20.037642 21.549742 31.743635 # 1 HOH +626 209 2 0.423800 19.888014 20.624411 31.800558 # 2 HOH +627 209 2 0.423800 20.148531 21.927914 32.643784 # 2 HOH +628 210 1 -0.847600 22.881371 17.542793 17.256424 # 1 HOH +629 210 2 0.423800 23.834940 17.650471 17.095579 # 2 HOH +630 210 2 0.423800 22.577198 18.488945 17.340109 # 2 HOH +631 211 1 -0.847600 23.269867 22.773375 41.361206 # 1 HOH +632 211 2 0.423800 22.563986 23.363970 41.867863 # 2 HOH +633 211 2 0.423800 22.753315 22.213276 40.554657 # 2 HOH +634 212 1 -0.847600 8.317511 15.933985 36.736828 # 1 HOH +635 212 2 0.423800 8.128373 16.580898 36.079899 # 2 HOH +636 212 2 0.423800 8.358474 15.023962 36.353615 # 2 HOH +637 213 1 -0.847600 11.741801 29.454275 35.940708 # 1 HOH +638 213 2 0.423800 10.849944 29.889532 35.597057 # 2 HOH +639 213 2 0.423800 11.337827 29.108767 36.889191 # 2 HOH +640 214 1 -0.847600 33.226879 21.195276 32.468410 # 1 HOH +641 214 2 0.423800 32.707939 22.024860 32.107578 # 2 HOH +642 214 2 0.423800 32.960228 20.410358 31.861094 # 2 HOH +643 215 1 -0.847600 26.694342 33.306255 42.365448 # 1 HOH +644 215 2 0.423800 27.567366 33.453678 42.805214 # 2 HOH +645 215 2 0.423800 26.382811 32.474491 42.798004 # 2 HOH +646 216 1 -0.847600 14.815847 5.103160 35.021294 # 1 HOH +647 216 2 0.423800 14.314766 6.028427 34.993877 # 2 HOH +648 216 2 0.423800 15.109935 4.831197 34.085098 # 2 HOH +649 217 1 -0.847600 4.861073 7.553894 37.567120 # 1 HOH +650 217 2 0.423800 5.898685 7.788101 37.402988 # 2 HOH +651 217 2 0.423800 4.666819 7.948701 38.520737 # 2 HOH +652 218 1 -0.847600 24.069399 15.240688 31.567759 # 1 HOH +653 218 2 0.423800 24.977261 15.572520 31.632053 # 2 HOH +654 218 2 0.423800 24.160511 14.203848 31.735476 # 2 HOH +655 219 1 -0.847600 21.615183 42.541271 2.573414 # 1 HOH +656 219 2 0.423800 22.266508 42.922672 1.990200 # 2 HOH +657 219 2 0.423800 21.634096 43.095810 3.403450 # 2 HOH +658 220 1 -0.847600 28.878754 44.157764 34.355209 # 1 HOH +659 220 2 0.423800 29.063139 43.632332 33.468670 # 2 HOH +660 220 2 0.423800 29.822962 44.533409 34.601227 # 2 HOH +661 221 1 -0.847600 18.465899 19.049866 5.410111 # 1 HOH +662 221 2 0.423800 18.816727 19.339567 4.561647 # 2 HOH +663 221 2 0.423800 18.103708 19.836620 5.898153 # 2 HOH +664 222 1 -0.847600 3.196225 33.739388 32.732517 # 1 HOH +665 222 2 0.423800 2.893880 34.560623 32.448505 # 2 HOH +666 222 2 0.423800 2.275407 33.287361 32.905369 # 2 HOH +667 223 1 -0.847600 7.270178 39.310249 0.573007 # 1 HOH +668 223 2 0.423800 7.554036 39.205326 1.598506 # 2 HOH +669 223 2 0.423800 6.415535 39.743927 0.461867 # 2 HOH +670 224 1 -0.847600 36.575413 28.198881 19.735100 # 1 HOH +671 224 2 0.423800 36.030121 29.135658 19.699646 # 2 HOH +672 224 2 0.423800 36.866989 28.025978 18.701874 # 2 HOH +673 225 1 -0.847600 15.610928 3.682913 32.515079 # 1 HOH +674 225 2 0.423800 15.701941 2.859509 31.984554 # 2 HOH +675 225 2 0.423800 16.289970 4.204196 32.118801 # 2 HOH +676 226 1 -0.847600 29.406076 3.900062 18.261002 # 1 HOH +677 226 2 0.423800 29.433634 4.898821 18.193436 # 2 HOH +678 226 2 0.423800 30.264706 3.571993 17.799576 # 2 HOH +679 227 1 -0.847600 2.720515 20.599642 39.758053 # 1 HOH +680 227 2 0.423800 2.889021 20.698097 40.714184 # 2 HOH +681 227 2 0.423800 2.456637 21.595999 39.467621 # 2 HOH +682 228 1 -0.847600 41.954674 39.623310 10.310908 # 1 HOH +683 228 2 0.423800 42.307137 38.732967 10.206817 # 2 HOH +684 228 2 0.423800 41.331978 39.583233 11.114839 # 2 HOH +685 229 1 -0.847600 41.649399 12.376763 17.567522 # 1 HOH +686 229 2 0.423800 41.807037 13.332373 17.449461 # 2 HOH +687 229 2 0.423800 40.687897 12.236618 17.621220 # 2 HOH +688 230 1 -0.847600 14.612747 25.936138 40.454288 # 1 HOH +689 230 2 0.423800 13.995174 26.793598 40.413383 # 2 HOH +690 230 2 0.423800 15.062340 25.912790 41.320007 # 2 HOH +691 231 1 -0.847600 16.968580 0.327145 39.231476 # 1 HOH +692 231 2 0.423800 17.394108 0.851471 39.984257 # 2 HOH +693 231 2 0.423800 16.106667 0.233501 39.684692 # 2 HOH +694 232 1 -0.847600 17.385900 11.661727 37.138226 # 1 HOH +695 232 2 0.423800 17.136065 11.023825 36.404167 # 2 HOH +696 232 2 0.423800 16.754709 11.399478 37.811222 # 2 HOH +697 233 1 -0.847600 11.324282 41.850956 7.243175 # 1 HOH +698 233 2 0.423800 11.782629 41.214661 6.635052 # 2 HOH +699 233 2 0.423800 10.660320 42.371132 6.652886 # 2 HOH +700 234 1 -0.847600 37.287189 4.890359 24.745464 # 1 HOH +701 234 2 0.423800 38.034042 4.277870 24.355183 # 2 HOH +702 234 2 0.423800 37.665432 5.877246 24.665751 # 2 HOH +703 235 1 -0.847600 24.471794 21.868727 18.171562 # 1 HOH +704 235 2 0.423800 23.752810 22.151743 17.543276 # 2 HOH +705 235 2 0.423800 24.575411 20.915232 17.845736 # 2 HOH +706 236 1 -0.847600 3.252516 45.008266 19.486237 # 1 HOH +707 236 2 0.423800 2.651757 45.222595 20.285315 # 2 HOH +708 236 2 0.423800 4.191692 44.896824 19.873577 # 2 HOH +709 237 1 -0.847600 33.605080 6.848855 23.996744 # 1 HOH +710 237 2 0.423800 33.040150 7.405195 23.467724 # 2 HOH +711 237 2 0.423800 34.387547 7.366783 24.137978 # 2 HOH +712 238 1 -0.847600 25.071297 0.728197 27.175814 # 1 HOH +713 238 2 0.423800 25.880276 1.210605 26.736708 # 2 HOH +714 238 2 0.423800 25.083561 -0.125116 26.557140 # 2 HOH +715 239 1 -0.847600 1.188712 17.368076 0.796618 # 1 HOH +716 239 2 0.423800 0.724400 18.150730 0.496693 # 2 HOH +717 239 2 0.423800 0.413550 16.774832 1.144207 # 2 HOH +718 240 1 -0.847600 18.687979 4.651154 22.179428 # 1 HOH +719 240 2 0.423800 18.819626 3.836486 21.666397 # 2 HOH +720 240 2 0.423800 18.174292 5.307790 21.622574 # 2 HOH +721 241 1 -0.847600 33.664406 25.044170 19.356462 # 1 HOH +722 241 2 0.423800 34.253857 25.110331 20.172243 # 2 HOH +723 241 2 0.423800 32.834736 24.782618 19.767620 # 2 HOH +724 242 1 -0.847600 18.129389 38.769588 42.338284 # 1 HOH +725 242 2 0.423800 19.008081 38.870720 41.822083 # 2 HOH +726 242 2 0.423800 17.696642 39.617260 42.372799 # 2 HOH +727 243 1 -0.847600 17.374748 34.080181 23.878069 # 1 HOH +728 243 2 0.423800 16.857332 33.838947 23.085264 # 2 HOH +729 243 2 0.423800 17.663191 33.163715 24.271711 # 2 HOH +730 244 1 -0.847600 24.879894 37.942417 13.162985 # 1 HOH +731 244 2 0.423800 24.629751 38.784805 12.616924 # 2 HOH +732 244 2 0.423800 25.779558 37.812908 12.765442 # 2 HOH +733 245 1 -0.847600 39.374214 43.292740 1.767850 # 1 HOH +734 245 2 0.423800 39.549427 42.736042 0.874826 # 2 HOH +735 245 2 0.423800 40.378998 43.589035 1.927112 # 2 HOH +736 246 1 -0.847600 14.734949 12.810415 25.730618 # 1 HOH +737 246 2 0.423800 15.345972 13.366305 25.152040 # 2 HOH +738 246 2 0.423800 14.213119 13.403772 26.344572 # 2 HOH +739 247 1 -0.847600 5.215806 41.843742 4.783583 # 1 HOH +740 247 2 0.423800 4.352935 41.612362 5.292210 # 2 HOH +741 247 2 0.423800 5.918605 42.147755 5.529006 # 2 HOH +742 248 1 -0.847600 0.664392 22.856691 23.025663 # 1 HOH +743 248 2 0.423800 1.359953 23.256060 22.509270 # 2 HOH +744 248 2 0.423800 0.119151 22.186964 22.485725 # 2 HOH +745 249 1 -0.847600 32.902676 34.568050 16.600262 # 1 HOH +746 249 2 0.423800 33.229286 34.727600 17.553400 # 2 HOH +747 249 2 0.423800 32.422962 35.400871 16.408138 # 2 HOH +748 250 1 -0.847600 13.524477 21.783588 37.538578 # 1 HOH +749 250 2 0.423800 13.790346 22.534922 38.166290 # 2 HOH +750 250 2 0.423800 12.438362 21.807146 37.507996 # 2 HOH +751 251 1 -0.847600 39.571438 24.376488 18.517828 # 1 HOH +752 251 2 0.423800 39.257904 25.172100 17.932104 # 2 HOH +753 251 2 0.423800 38.785912 23.840033 18.855150 # 2 HOH +754 252 1 -0.847600 25.588757 30.795782 0.613206 # 1 HOH +755 252 2 0.423800 26.346960 30.178783 0.805007 # 2 HOH +756 252 2 0.423800 25.035963 30.902588 1.450267 # 2 HOH +757 253 1 -0.847600 9.442086 37.571743 33.730713 # 1 HOH +758 253 2 0.423800 9.937579 36.863770 33.303482 # 2 HOH +759 253 2 0.423800 8.900615 38.087978 33.085339 # 2 HOH +760 254 1 -0.847600 30.196478 3.277005 3.080059 # 1 HOH +761 254 2 0.423800 29.457737 3.375630 2.505989 # 2 HOH +762 254 2 0.423800 30.021463 3.756646 3.916092 # 2 HOH +763 255 1 -0.847600 12.530375 37.351307 3.054054 # 1 HOH +764 255 2 0.423800 11.830320 36.672855 3.256856 # 2 HOH +765 255 2 0.423800 12.563550 37.138386 1.988823 # 2 HOH +766 256 1 -0.847600 7.463666 23.362829 24.911760 # 1 HOH +767 256 2 0.423800 7.522513 23.690001 25.878044 # 2 HOH +768 256 2 0.423800 8.069135 22.586132 24.846437 # 2 HOH +769 257 1 -0.847600 29.702467 34.924404 40.726479 # 1 HOH +770 257 2 0.423800 30.199100 34.167904 40.270828 # 2 HOH +771 257 2 0.423800 30.435215 35.535366 41.007442 # 2 HOH +772 258 1 -0.847600 10.317720 25.231737 20.820494 # 1 HOH +773 258 2 0.423800 11.310625 24.991291 20.961630 # 2 HOH +774 258 2 0.423800 9.933678 24.356581 20.941372 # 2 HOH +775 259 1 -0.847600 26.308071 18.977142 19.866608 # 1 HOH +776 259 2 0.423800 26.354458 18.153759 20.363686 # 2 HOH +777 259 2 0.423800 25.312386 19.348501 19.823254 # 2 HOH +778 260 1 -0.847600 10.879889 33.557526 13.429312 # 1 HOH +779 260 2 0.423800 11.484904 33.609482 14.240125 # 2 HOH +780 260 2 0.423800 10.581676 32.585865 13.301551 # 2 HOH +781 261 1 -0.847600 14.398871 43.928329 5.638326 # 1 HOH +782 261 2 0.423800 15.161780 44.656128 5.826023 # 2 HOH +783 261 2 0.423800 13.574054 44.477242 5.694662 # 2 HOH +784 262 1 -0.847600 5.499650 25.764078 23.320784 # 1 HOH +785 262 2 0.423800 6.071723 26.027922 24.153088 # 2 HOH +786 262 2 0.423800 6.020123 25.190222 22.723082 # 2 HOH +787 263 1 -0.847600 25.364313 4.072103 41.517376 # 1 HOH +788 263 2 0.423800 25.686392 3.786997 42.421291 # 2 HOH +789 263 2 0.423800 25.797251 4.999218 41.449242 # 2 HOH +790 264 1 -0.847600 23.277241 7.496912 27.254698 # 1 HOH +791 264 2 0.423800 23.455132 6.574481 26.862251 # 2 HOH +792 264 2 0.423800 24.231113 7.925822 27.085648 # 2 HOH +793 265 1 -0.847600 40.431309 14.488955 37.572426 # 1 HOH +794 265 2 0.423800 40.491550 15.427802 37.755001 # 2 HOH +795 265 2 0.423800 39.789375 14.504103 36.869976 # 2 HOH +796 266 1 -0.847600 6.682075 29.657301 -0.654999 # 1 HOH +797 266 2 0.423800 6.195146 30.594809 -0.675797 # 2 HOH +798 266 2 0.423800 6.403945 29.199507 0.163792 # 2 HOH +799 267 1 -0.847600 31.925642 13.989576 40.764690 # 1 HOH +800 267 2 0.423800 32.395412 14.942988 41.028450 # 2 HOH +801 267 2 0.423800 31.722511 13.579474 41.594585 # 2 HOH +802 268 1 -0.847600 15.268282 4.419798 19.894659 # 1 HOH +803 268 2 0.423800 14.755716 4.058574 20.588655 # 2 HOH +804 268 2 0.423800 14.820691 5.204701 19.567657 # 2 HOH +805 269 1 -0.847600 19.923735 16.673429 9.821856 # 1 HOH +806 269 2 0.423800 20.785246 16.303141 10.115212 # 2 HOH +807 269 2 0.423800 19.409702 15.793632 9.763009 # 2 HOH +808 270 1 -0.847600 26.145229 36.358311 34.647018 # 1 HOH +809 270 2 0.423800 26.995644 36.591564 35.111328 # 2 HOH +810 270 2 0.423800 25.627483 37.231945 34.580959 # 2 HOH +811 271 1 -0.847600 35.558620 33.084747 9.141804 # 1 HOH +812 271 2 0.423800 35.047829 33.574684 8.412989 # 2 HOH +813 271 2 0.423800 34.991920 32.495758 9.649087 # 2 HOH +814 272 1 -0.847600 32.074959 3.579864 33.559757 # 1 HOH +815 272 2 0.423800 31.186501 3.564475 33.265335 # 2 HOH +816 272 2 0.423800 32.574802 3.410358 32.672333 # 2 HOH +817 273 1 -0.847600 28.546381 42.637714 36.877853 # 1 HOH +818 273 2 0.423800 28.904848 43.403732 36.251503 # 2 HOH +819 273 2 0.423800 28.804358 41.811943 36.386631 # 2 HOH +820 274 1 -0.847600 33.160915 31.061262 38.878929 # 1 HOH +821 274 2 0.423800 33.301800 30.585821 37.967686 # 2 HOH +822 274 2 0.423800 33.181065 30.249403 39.594517 # 2 HOH +823 275 1 -0.847600 31.604338 13.113490 35.325958 # 1 HOH +824 275 2 0.423800 31.655804 13.455002 36.291908 # 2 HOH +825 275 2 0.423800 32.278648 13.681964 34.913307 # 2 HOH +826 276 1 -0.847600 7.853863 8.100404 23.443380 # 1 HOH +827 276 2 0.423800 8.765973 8.316623 23.844946 # 2 HOH +828 276 2 0.423800 7.401223 7.653065 24.154984 # 2 HOH +829 277 1 -0.847600 23.298798 18.222202 3.254625 # 1 HOH +830 277 2 0.423800 22.727608 18.655138 2.486395 # 2 HOH +831 277 2 0.423800 24.151556 18.000618 2.770122 # 2 HOH +832 278 1 -0.847600 34.500351 5.125760 -0.168069 # 1 HOH +833 278 2 0.423800 35.094162 4.308989 0.039509 # 2 HOH +834 278 2 0.423800 34.790562 5.643410 -1.008201 # 2 HOH +835 279 1 -0.847600 2.918800 5.026304 30.832003 # 1 HOH +836 279 2 0.423800 2.204175 5.562292 30.434570 # 2 HOH +837 279 2 0.423800 3.498601 5.559735 31.391159 # 2 HOH +838 280 1 -0.847600 4.209914 37.847733 27.972733 # 1 HOH +839 280 2 0.423800 5.046957 38.358513 27.656111 # 2 HOH +840 280 2 0.423800 3.455232 38.566582 28.271996 # 2 HOH +841 281 1 -0.847600 37.391781 25.119032 7.621494 # 1 HOH +842 281 2 0.423800 37.233875 24.942778 8.681086 # 2 HOH +843 281 2 0.423800 37.727589 26.060360 7.516068 # 2 HOH +844 282 1 -0.847600 36.427818 16.762550 6.623205 # 1 HOH +845 282 2 0.423800 37.197163 16.157303 7.024811 # 2 HOH +846 282 2 0.423800 35.797176 16.152170 6.104379 # 2 HOH +847 283 1 -0.847600 0.744752 44.132252 34.566345 # 1 HOH +848 283 2 0.423800 1.227173 43.380718 34.899086 # 2 HOH +849 283 2 0.423800 1.313288 44.598843 33.878258 # 2 HOH +850 284 1 -0.847600 13.776549 35.098400 13.361880 # 1 HOH +851 284 2 0.423800 14.268651 35.970592 13.135979 # 2 HOH +852 284 2 0.423800 13.056173 34.916962 12.673898 # 2 HOH +853 285 1 -0.847600 41.367310 35.618809 41.307949 # 1 HOH +854 285 2 0.423800 41.887115 34.803593 41.151726 # 2 HOH +855 285 2 0.423800 40.546429 35.578056 40.953800 # 2 HOH +856 286 1 -0.847600 1.071347 0.673494 2.114289 # 1 HOH +857 286 2 0.423800 1.872265 0.416637 2.660033 # 2 HOH +858 286 2 0.423800 1.243784 1.036117 1.236130 # 2 HOH +859 287 1 -0.847600 26.452904 16.315100 17.909595 # 1 HOH +860 287 2 0.423800 27.166592 15.681237 18.051130 # 2 HOH +861 287 2 0.423800 26.959251 17.223095 17.818855 # 2 HOH +862 288 1 -0.847600 25.607075 24.608137 24.282120 # 1 HOH +863 288 2 0.423800 25.346378 24.746668 23.335211 # 2 HOH +864 288 2 0.423800 24.719936 24.364550 24.708809 # 2 HOH +865 289 1 -0.847600 20.027718 25.856697 22.294748 # 1 HOH +866 289 2 0.423800 20.470192 24.908976 22.254139 # 2 HOH +867 289 2 0.423800 19.958193 26.133564 23.224115 # 2 HOH +868 290 1 -0.847600 36.945866 24.235033 38.089661 # 1 HOH +869 290 2 0.423800 36.608917 23.349190 37.665848 # 2 HOH +870 290 2 0.423800 36.141354 24.815914 37.836567 # 2 HOH +871 291 1 -0.847600 37.285389 27.559912 35.724495 # 1 HOH +872 291 2 0.423800 37.194653 26.568964 35.768661 # 2 HOH +873 291 2 0.423800 37.762753 27.658842 34.785713 # 2 HOH +874 292 1 -0.847600 35.012253 15.265662 10.100001 # 1 HOH +875 292 2 0.423800 34.773224 14.411269 10.571613 # 2 HOH +876 292 2 0.423800 34.904438 16.023952 10.800097 # 2 HOH +877 293 1 -0.847600 12.818204 30.036406 6.003547 # 1 HOH +878 293 2 0.423800 12.600923 30.994614 6.369476 # 2 HOH +879 293 2 0.423800 13.681793 29.792858 6.556637 # 2 HOH +880 294 1 -0.847600 19.275553 37.334290 20.375481 # 1 HOH +881 294 2 0.423800 18.457899 37.987541 20.206522 # 2 HOH +882 294 2 0.423800 20.081646 37.935276 20.364624 # 2 HOH +883 295 1 -0.847600 7.568607 19.878483 33.104801 # 1 HOH +884 295 2 0.423800 8.236484 20.495930 32.545486 # 2 HOH +885 295 2 0.423800 7.022102 19.232050 32.535336 # 2 HOH +886 296 1 -0.847600 39.702393 17.627991 29.038357 # 1 HOH +887 296 2 0.423800 40.104706 17.083086 29.857191 # 2 HOH +888 296 2 0.423800 38.985023 18.287853 29.425486 # 2 HOH +889 297 1 -0.847600 27.657261 1.383145 25.834538 # 1 HOH +890 297 2 0.423800 28.270727 1.426649 26.580269 # 2 HOH +891 297 2 0.423800 27.817348 2.058961 25.156349 # 2 HOH +892 298 1 -0.847600 38.384281 25.484671 29.627562 # 1 HOH +893 298 2 0.423800 38.618523 26.226114 30.329954 # 2 HOH +894 298 2 0.423800 37.364769 25.298784 29.768944 # 2 HOH +895 299 1 -0.847600 35.361530 36.293530 29.505388 # 1 HOH +896 299 2 0.423800 35.549706 36.631062 28.610546 # 2 HOH +897 299 2 0.423800 34.556244 35.764107 29.304268 # 2 HOH +898 300 1 -0.847600 40.733505 38.702141 2.948531 # 1 HOH +899 300 2 0.423800 41.095078 37.859840 2.427104 # 2 HOH +900 300 2 0.423800 41.504498 39.204048 3.121587 # 2 HOH +901 301 1 -0.847600 10.701581 22.837311 12.459756 # 1 HOH +902 301 2 0.423800 11.038671 23.760424 12.198601 # 2 HOH +903 301 2 0.423800 11.215189 22.204054 11.932701 # 2 HOH +904 302 1 -0.847600 41.480194 5.031229 31.668791 # 1 HOH +905 302 2 0.423800 42.228291 4.439668 31.967474 # 2 HOH +906 302 2 0.423800 41.004086 4.237331 31.219740 # 2 HOH +907 303 1 -0.847600 38.057953 21.379835 15.477244 # 1 HOH +908 303 2 0.423800 38.942406 21.274502 15.900561 # 2 HOH +909 303 2 0.423800 37.526207 21.631666 16.265759 # 2 HOH +910 304 1 -0.847600 35.608727 44.706165 17.762001 # 1 HOH +911 304 2 0.423800 35.051632 44.826828 18.587811 # 2 HOH +912 304 2 0.423800 35.151615 43.882915 17.201139 # 2 HOH +913 305 1 -0.847600 8.002974 26.281017 12.859881 # 1 HOH +914 305 2 0.423800 7.886673 27.307673 12.803759 # 2 HOH +915 305 2 0.423800 7.969141 25.883806 11.895839 # 2 HOH +916 306 1 -0.847600 12.163728 8.513126 28.279913 # 1 HOH +917 306 2 0.423800 11.995870 7.568527 28.687195 # 2 HOH +918 306 2 0.423800 12.167617 8.493957 27.312477 # 2 HOH +919 307 1 -0.847600 16.647192 2.933289 14.097290 # 1 HOH +920 307 2 0.423800 15.653766 2.776181 13.759301 # 2 HOH +921 307 2 0.423800 16.801907 3.811220 13.728209 # 2 HOH +922 308 1 -0.847600 5.476828 15.547334 29.689356 # 1 HOH +923 308 2 0.423800 5.169047 15.385180 30.690769 # 2 HOH +924 308 2 0.423800 6.478949 15.439497 29.643753 # 2 HOH +925 309 1 -0.847600 36.868603 21.482559 30.485512 # 1 HOH +926 309 2 0.423800 35.855064 21.821138 30.399628 # 2 HOH +927 309 2 0.423800 37.155476 21.982435 29.658463 # 2 HOH +928 310 1 -0.847600 5.677512 15.983538 26.891436 # 1 HOH +929 310 2 0.423800 5.809410 16.065697 27.880465 # 2 HOH +930 310 2 0.423800 4.797873 16.446007 26.738987 # 2 HOH +931 311 1 -0.847600 40.608776 24.115448 31.572561 # 1 HOH +932 311 2 0.423800 40.767365 23.160498 31.716799 # 2 HOH +933 311 2 0.423800 40.946461 24.432161 30.681103 # 2 HOH +934 312 1 -0.847600 2.668019 8.726004 21.427946 # 1 HOH +935 312 2 0.423800 2.405698 8.824450 22.495445 # 2 HOH +936 312 2 0.423800 3.268881 7.852379 21.475645 # 2 HOH +937 313 1 -0.847600 32.617481 32.135750 30.164360 # 1 HOH +938 313 2 0.423800 32.569649 32.552895 31.067066 # 2 HOH +939 313 2 0.423800 33.174648 31.311514 30.479584 # 2 HOH +940 314 1 -0.847600 8.558708 42.791782 40.507504 # 1 HOH +941 314 2 0.423800 8.019041 43.274750 41.153297 # 2 HOH +942 314 2 0.423800 8.726337 41.878868 40.827885 # 2 HOH +943 315 1 -0.847600 39.028183 31.365765 26.503130 # 1 HOH +944 315 2 0.423800 39.289413 30.561159 26.012886 # 2 HOH +945 315 2 0.423800 38.727734 31.934883 25.792910 # 2 HOH +946 316 1 -0.847600 42.174221 42.448536 7.512253 # 1 HOH +947 316 2 0.423800 41.348801 42.306194 6.981697 # 2 HOH +948 316 2 0.423800 42.133987 43.374866 7.920515 # 2 HOH +949 317 1 -0.847600 11.687349 13.881841 13.824912 # 1 HOH +950 317 2 0.423800 11.668781 14.114030 14.781124 # 2 HOH +951 317 2 0.423800 12.436794 14.468741 13.554575 # 2 HOH +952 318 1 -0.847600 23.008654 42.693871 39.301155 # 1 HOH +953 318 2 0.423800 23.799520 43.259529 39.524662 # 2 HOH +954 318 2 0.423800 22.581898 43.027275 38.477531 # 2 HOH +955 319 1 -0.847600 19.392443 36.156124 14.922087 # 1 HOH +956 319 2 0.423800 18.396700 36.330231 14.692926 # 2 HOH +957 319 2 0.423800 19.454275 36.354900 15.894519 # 2 HOH +958 320 1 -0.847600 11.080163 10.311329 9.943382 # 1 HOH +959 320 2 0.423800 11.322431 11.029650 9.357183 # 2 HOH +960 320 2 0.423800 11.186913 10.773928 10.798671 # 2 HOH +961 321 1 -0.847600 20.246756 21.953144 6.661829 # 1 HOH +962 321 2 0.423800 21.004919 21.307436 6.385861 # 2 HOH +963 321 2 0.423800 20.880871 22.446230 7.324577 # 2 HOH +964 322 1 -0.847600 26.821447 28.977726 24.558485 # 1 HOH +965 322 2 0.423800 26.838221 28.731550 25.545124 # 2 HOH +966 322 2 0.423800 26.109104 28.477642 24.092737 # 2 HOH +967 323 1 -0.847600 2.599734 31.998360 12.733257 # 1 HOH +968 323 2 0.423800 3.525465 31.898514 13.270448 # 2 HOH +969 323 2 0.423800 1.889241 32.134453 13.319794 # 2 HOH +970 324 1 -0.847600 28.287870 38.019646 31.628355 # 1 HOH +971 324 2 0.423800 28.182711 38.024532 32.703369 # 2 HOH +972 324 2 0.423800 28.975645 37.254982 31.358130 # 2 HOH +973 325 1 -0.847600 22.221489 1.096302 30.239882 # 1 HOH +974 325 2 0.423800 22.499025 1.796037 29.556612 # 2 HOH +975 325 2 0.423800 22.251551 1.669754 31.093523 # 2 HOH +976 326 1 -0.847600 24.851435 14.680772 38.933979 # 1 HOH +977 326 2 0.423800 24.762737 13.778626 39.386745 # 2 HOH +978 326 2 0.423800 24.729942 14.586856 37.986423 # 2 HOH +979 327 1 -0.847600 16.448803 33.910236 32.540581 # 1 HOH +980 327 2 0.423800 16.565264 33.346558 33.294445 # 2 HOH +981 327 2 0.423800 17.331007 33.872902 32.143265 # 2 HOH +982 328 1 -0.847600 2.031012 42.602741 31.588551 # 1 HOH +983 328 2 0.423800 1.716825 43.310673 30.932682 # 2 HOH +984 328 2 0.423800 2.840864 42.919834 32.049599 # 2 HOH +985 329 1 -0.847600 38.052658 35.678074 15.569035 # 1 HOH +986 329 2 0.423800 37.123634 35.282661 15.513977 # 2 HOH +987 329 2 0.423800 38.112232 36.402954 14.770850 # 2 HOH +988 330 1 -0.847600 7.518428 40.934856 2.999556 # 1 HOH +989 330 2 0.423800 8.140096 41.705265 3.047247 # 2 HOH +990 330 2 0.423800 6.642299 41.291634 3.371898 # 2 HOH +991 331 1 -0.847600 32.530357 44.586994 17.329355 # 1 HOH +992 331 2 0.423800 31.909475 43.850090 17.155399 # 2 HOH +993 331 2 0.423800 32.871365 44.314514 18.248772 # 2 HOH +994 332 1 -0.847600 20.480255 -0.298018 22.634882 # 1 HOH +995 332 2 0.423800 19.527704 -0.365533 22.365801 # 2 HOH +996 332 2 0.423800 20.462254 0.708713 22.834455 # 2 HOH +997 333 1 -0.847600 36.554821 18.526979 18.407387 # 1 HOH +998 333 2 0.423800 36.796314 18.364382 17.457809 # 2 HOH +999 333 2 0.423800 37.421139 18.412542 19.022570 # 2 HOH +1000 334 1 -0.847600 16.982058 28.160089 22.575808 # 1 HOH +1001 334 2 0.423800 17.250465 28.257845 21.594757 # 2 HOH +1002 334 2 0.423800 16.851950 27.208456 22.613981 # 2 HOH +1003 335 1 -0.847600 22.980371 3.458889 36.854885 # 1 HOH +1004 335 2 0.423800 23.335314 3.443108 37.720650 # 2 HOH +1005 335 2 0.423800 22.787264 4.425767 36.642418 # 2 HOH +1006 336 1 -0.847600 0.992755 37.559109 7.063432 # 1 HOH +1007 336 2 0.423800 1.296379 36.779606 6.479834 # 2 HOH +1008 336 2 0.423800 1.543856 38.351772 6.811495 # 2 HOH +1009 337 1 -0.847600 2.827144 41.662964 6.418369 # 1 HOH +1010 337 2 0.423800 2.049760 42.126881 5.922687 # 2 HOH +1011 337 2 0.423800 2.783624 42.109528 7.300522 # 2 HOH +1012 338 1 -0.847600 18.839270 35.881001 38.969570 # 1 HOH +1013 338 2 0.423800 19.346193 35.042126 39.022442 # 2 HOH +1014 338 2 0.423800 18.239111 35.955948 39.819885 # 2 HOH +1015 339 1 -0.847600 41.533001 29.235998 26.882162 # 1 HOH +1016 339 2 0.423800 41.004238 28.908920 26.065891 # 2 HOH +1017 339 2 0.423800 42.412025 28.952198 26.596060 # 2 HOH +1018 340 1 -0.847600 40.479019 30.984304 10.048460 # 1 HOH +1019 340 2 0.423800 39.683342 30.697388 10.475875 # 2 HOH +1020 340 2 0.423800 40.945782 30.093288 9.696682 # 2 HOH +1021 341 1 -0.847600 25.795507 34.251709 36.692425 # 1 HOH +1022 341 2 0.423800 25.433231 34.869259 35.931713 # 2 HOH +1023 341 2 0.423800 25.025003 34.388218 37.441467 # 2 HOH +1024 342 1 -0.847600 17.974119 44.301338 4.316786 # 1 HOH +1025 342 2 0.423800 18.768679 44.797516 4.327570 # 2 HOH +1026 342 2 0.423800 18.193338 43.526554 3.618778 # 2 HOH +1027 343 1 -0.847600 36.664604 21.288670 24.116047 # 1 HOH +1028 343 2 0.423800 36.540192 22.050503 23.534781 # 2 HOH +1029 343 2 0.423800 37.715515 21.161879 24.071623 # 2 HOH +1030 344 1 -0.847600 1.759974 21.104242 36.067947 # 1 HOH +1031 344 2 0.423800 2.193242 22.002934 36.359001 # 2 HOH +1032 344 2 0.423800 2.570476 20.575624 35.842697 # 2 HOH +1033 345 1 -0.847600 4.308020 32.143158 30.742067 # 1 HOH +1034 345 2 0.423800 4.538904 31.317272 31.117867 # 2 HOH +1035 345 2 0.423800 4.097600 32.687019 31.598034 # 2 HOH +1036 346 1 -0.847600 12.983986 22.962059 24.750002 # 1 HOH +1037 346 2 0.423800 13.183893 22.797901 23.802620 # 2 HOH +1038 346 2 0.423800 12.698481 23.903732 24.635536 # 2 HOH +1039 347 1 -0.847600 21.364941 32.961971 15.919419 # 1 HOH +1040 347 2 0.423800 21.738958 33.952450 16.069805 # 2 HOH +1041 347 2 0.423800 20.527872 33.268444 15.501120 # 2 HOH +1042 348 1 -0.847600 27.882078 4.610583 37.031944 # 1 HOH +1043 348 2 0.423800 28.099310 4.170374 37.963852 # 2 HOH +1044 348 2 0.423800 27.213699 5.345777 37.239956 # 2 HOH +1045 349 1 -0.847600 3.026454 31.881857 36.744904 # 1 HOH +1046 349 2 0.423800 2.594455 32.772743 36.688030 # 2 HOH +1047 349 2 0.423800 3.687419 31.858711 36.062969 # 2 HOH +1048 350 1 -0.847600 37.878643 22.725172 20.496655 # 1 HOH +1049 350 2 0.423800 38.385330 22.579298 21.389446 # 2 HOH +1050 350 2 0.423800 36.866413 22.777958 20.677822 # 2 HOH +1051 351 1 -0.847600 19.237961 16.944712 7.177197 # 1 HOH +1052 351 2 0.423800 19.303495 17.032162 8.232633 # 2 HOH +1053 351 2 0.423800 18.987110 17.848555 6.745468 # 2 HOH +1054 352 1 -0.847600 20.327515 8.329899 2.929092 # 1 HOH +1055 352 2 0.423800 20.672876 7.292835 2.979389 # 2 HOH +1056 352 2 0.423800 20.904860 8.700150 3.662167 # 2 HOH +1057 353 1 -0.847600 13.581186 21.606474 32.416553 # 1 HOH +1058 353 2 0.423800 13.274622 21.402283 33.379650 # 2 HOH +1059 353 2 0.423800 13.899298 22.503271 32.520012 # 2 HOH +1060 354 1 -0.847600 14.761338 16.534878 17.239361 # 1 HOH +1061 354 2 0.423800 15.711232 16.506517 17.763571 # 2 HOH +1062 354 2 0.423800 14.650445 17.294008 16.593292 # 2 HOH +1063 355 1 -0.847600 34.398155 17.340839 3.782905 # 1 HOH +1064 355 2 0.423800 33.845276 16.832954 3.200007 # 2 HOH +1065 355 2 0.423800 34.511055 16.638596 4.558882 # 2 HOH +1066 356 1 -0.847600 18.909121 18.663553 27.828306 # 1 HOH +1067 356 2 0.423800 18.137651 18.615736 28.409548 # 2 HOH +1068 356 2 0.423800 19.108374 19.645657 27.892530 # 2 HOH +1069 357 1 -0.847600 19.003180 37.786003 33.817669 # 1 HOH +1070 357 2 0.423800 19.148312 38.753689 33.931004 # 2 HOH +1071 357 2 0.423800 18.825886 37.349964 34.732925 # 2 HOH +1072 358 1 -0.847600 31.838594 25.899837 28.089329 # 1 HOH +1073 358 2 0.423800 32.134396 25.342678 27.325798 # 2 HOH +1074 358 2 0.423800 32.518375 26.690561 28.077818 # 2 HOH +1075 359 1 -0.847600 4.353696 21.888313 28.211449 # 1 HOH +1076 359 2 0.423800 4.988708 21.985180 27.499027 # 2 HOH +1077 359 2 0.423800 3.523471 21.963114 27.759190 # 2 HOH +1078 360 1 -0.847600 39.782749 9.637861 31.731659 # 1 HOH +1079 360 2 0.423800 39.072250 10.058207 32.299236 # 2 HOH +1080 360 2 0.423800 40.627350 10.138511 31.907776 # 2 HOH +1081 361 1 -0.847600 21.202175 39.345047 21.029907 # 1 HOH +1082 361 2 0.423800 21.315880 39.736973 20.068106 # 2 HOH +1083 361 2 0.423800 20.488562 39.909172 21.557148 # 2 HOH +1084 362 1 -0.847600 4.568417 22.986242 25.017963 # 1 HOH +1085 362 2 0.423800 4.334040 22.650887 24.066526 # 2 HOH +1086 362 2 0.423800 5.546369 23.086329 24.910948 # 2 HOH +1087 363 1 -0.847600 20.759241 7.010544 33.531315 # 1 HOH +1088 363 2 0.423800 20.928173 7.597988 32.666904 # 2 HOH +1089 363 2 0.423800 20.243757 7.681251 33.940536 # 2 HOH +1090 364 1 -0.847600 15.019979 4.063410 23.694860 # 1 HOH +1091 364 2 0.423800 15.191364 3.391223 23.017025 # 2 HOH +1092 364 2 0.423800 14.190935 3.730698 24.102093 # 2 HOH +1093 365 1 -0.847600 11.442128 20.692348 25.271599 # 1 HOH +1094 365 2 0.423800 10.460832 20.801119 24.909792 # 2 HOH +1095 365 2 0.423800 11.964733 21.573969 25.214045 # 2 HOH +1096 366 1 -0.847600 32.945473 39.191364 27.769819 # 1 HOH +1097 366 2 0.423800 33.024693 39.008553 28.669104 # 2 HOH +1098 366 2 0.423800 32.631001 40.152702 27.953245 # 2 HOH +1099 367 1 -0.847600 11.391579 44.086685 35.777382 # 1 HOH +1100 367 2 0.423800 11.951771 44.878208 35.908073 # 2 HOH +1101 367 2 0.423800 11.459009 43.728195 36.697918 # 2 HOH +1102 368 1 -0.847600 42.695847 6.712087 16.149323 # 1 HOH +1103 368 2 0.423800 42.851292 7.379192 15.462072 # 2 HOH +1104 368 2 0.423800 42.703453 5.787135 15.739681 # 2 HOH +1105 369 1 -0.847600 19.720989 -0.758874 16.819008 # 1 HOH +1106 369 2 0.423800 19.006985 -1.262173 16.340412 # 2 HOH +1107 369 2 0.423800 19.583717 0.174771 16.521248 # 2 HOH +1108 370 1 -0.847600 40.722328 5.670548 9.224402 # 1 HOH +1109 370 2 0.423800 41.664787 5.463177 9.113908 # 2 HOH +1110 370 2 0.423800 40.286819 4.961828 9.576626 # 2 HOH +1111 371 1 -0.847600 7.090542 0.038260 35.785866 # 1 HOH +1112 371 2 0.423800 7.093776 -0.689513 36.445648 # 2 HOH +1113 371 2 0.423800 6.246357 0.098716 35.241699 # 2 HOH +1114 372 1 -0.847600 17.524511 21.559752 3.283825 # 1 HOH +1115 372 2 0.423800 16.812979 21.772966 2.594880 # 2 HOH +1116 372 2 0.423800 16.967806 21.371313 4.156037 # 2 HOH +1117 373 1 -0.847600 1.620882 4.944514 7.776431 # 1 HOH +1118 373 2 0.423800 1.744186 5.625995 7.136270 # 2 HOH +1119 373 2 0.423800 1.805062 4.138669 7.240878 # 2 HOH +1120 374 1 -0.847600 24.326008 44.667961 3.574731 # 1 HOH +1121 374 2 0.423800 24.341293 44.670528 4.528856 # 2 HOH +1122 374 2 0.423800 23.770521 45.518147 3.332545 # 2 HOH +1123 375 1 -0.847600 39.370575 9.538192 18.768671 # 1 HOH +1124 375 2 0.423800 39.633274 9.446583 19.682640 # 2 HOH +1125 375 2 0.423800 39.938366 8.824277 18.268566 # 2 HOH +1126 376 1 -0.847600 32.254978 22.405481 8.856786 # 1 HOH +1127 376 2 0.423800 32.148201 21.872692 7.994796 # 2 HOH +1128 376 2 0.423800 33.216335 22.212109 8.994160 # 2 HOH +1129 377 1 -0.847600 5.856912 0.056398 16.601744 # 1 HOH +1130 377 2 0.423800 5.833741 0.811231 16.061394 # 2 HOH +1131 377 2 0.423800 6.592824 0.347207 17.209303 # 2 HOH +1132 378 1 -0.847600 26.128304 6.661420 42.291149 # 1 HOH +1133 378 2 0.423800 25.986750 7.584789 42.506939 # 2 HOH +1134 378 2 0.423800 27.069998 6.520800 42.168663 # 2 HOH +1135 379 1 -0.847600 21.038408 36.449375 9.603889 # 1 HOH +1136 379 2 0.423800 21.582602 36.899277 8.848555 # 2 HOH +1137 379 2 0.423800 20.260181 35.936447 9.121506 # 2 HOH +1138 380 1 -0.847600 32.729885 21.785841 20.108528 # 1 HOH +1139 380 2 0.423800 32.195335 21.646511 20.917311 # 2 HOH +1140 380 2 0.423800 32.146557 22.296122 19.487843 # 2 HOH +1141 381 1 -0.847600 12.618184 31.013332 30.639580 # 1 HOH +1142 381 2 0.423800 13.176641 31.019667 29.817719 # 2 HOH +1143 381 2 0.423800 12.059940 30.301302 30.566212 # 2 HOH +1144 382 1 -0.847600 24.442049 6.322662 24.036045 # 1 HOH +1145 382 2 0.423800 25.480274 6.262935 23.806284 # 2 HOH +1146 382 2 0.423800 24.180811 5.494400 24.261333 # 2 HOH +1147 383 1 -0.847600 33.516109 38.266167 37.947956 # 1 HOH +1148 383 2 0.423800 34.353550 38.330391 37.498928 # 2 HOH +1149 383 2 0.423800 33.436512 39.273575 38.151516 # 2 HOH +1150 384 1 -0.847600 14.666620 4.646849 4.056939 # 1 HOH +1151 384 2 0.423800 13.920547 5.357569 4.319668 # 2 HOH +1152 384 2 0.423800 14.437705 3.785432 4.577110 # 2 HOH +1153 385 1 -0.847600 15.577339 16.819349 34.643929 # 1 HOH +1154 385 2 0.423800 16.499104 16.640989 34.946278 # 2 HOH +1155 385 2 0.423800 15.640327 17.537962 34.038536 # 2 HOH +1156 386 1 -0.847600 1.029816 15.835357 24.162401 # 1 HOH +1157 386 2 0.423800 0.365119 15.832128 25.028555 # 2 HOH +1158 386 2 0.423800 0.657669 16.491682 23.475267 # 2 HOH +1159 387 1 -0.847600 31.340557 9.563845 16.501637 # 1 HOH +1160 387 2 0.423800 30.405624 9.900906 16.645632 # 2 HOH +1161 387 2 0.423800 31.342476 9.210982 15.674067 # 2 HOH +1162 388 1 -0.847600 37.821487 13.086099 3.508510 # 1 HOH +1163 388 2 0.423800 37.173450 12.506091 3.014091 # 2 HOH +1164 388 2 0.423800 38.357838 12.489979 4.073688 # 2 HOH +1165 389 1 -0.847600 19.723484 42.901031 41.655018 # 1 HOH +1166 389 2 0.423800 20.612265 42.395241 41.856812 # 2 HOH +1167 389 2 0.423800 19.607655 42.651550 40.684074 # 2 HOH +1168 390 1 -0.847600 28.413265 33.612045 37.675816 # 1 HOH +1169 390 2 0.423800 27.485544 33.710964 37.373363 # 2 HOH +1170 390 2 0.423800 28.344673 34.139439 38.561531 # 2 HOH +1171 391 1 -0.847600 12.544025 30.077999 17.679607 # 1 HOH +1172 391 2 0.423800 13.070190 30.300484 18.525509 # 2 HOH +1173 391 2 0.423800 13.178864 29.523193 17.096256 # 2 HOH +1174 392 1 -0.847600 24.103683 14.463912 36.143032 # 1 HOH +1175 392 2 0.423800 23.940886 15.423247 35.869953 # 2 HOH +1176 392 2 0.423800 23.505167 13.904230 35.547554 # 2 HOH +1177 393 1 -0.847600 31.410288 1.666989 25.965782 # 1 HOH +1178 393 2 0.423800 30.560396 1.838392 26.564922 # 2 HOH +1179 393 2 0.423800 31.246170 0.721354 25.610203 # 2 HOH +1180 394 1 -0.847600 14.174085 3.344317 1.400895 # 1 HOH +1181 394 2 0.423800 13.811986 3.685220 2.217110 # 2 HOH +1182 394 2 0.423800 14.774346 2.553239 1.658603 # 2 HOH +1183 395 1 -0.847600 33.007919 5.297049 2.622525 # 1 HOH +1184 395 2 0.423800 33.381985 5.612166 3.548190 # 2 HOH +1185 395 2 0.423800 33.611828 4.590762 2.309363 # 2 HOH +1186 396 1 -0.847600 25.124027 37.568115 19.593058 # 1 HOH +1187 396 2 0.423800 24.689779 37.084724 18.832077 # 2 HOH +1188 396 2 0.423800 25.176432 36.858929 20.332167 # 2 HOH +1189 397 1 -0.847600 23.660561 4.610272 3.979001 # 1 HOH +1190 397 2 0.423800 23.523191 4.765810 4.928219 # 2 HOH +1191 397 2 0.423800 24.347065 5.266722 3.733542 # 2 HOH +1192 398 1 -0.847600 42.571133 40.378422 5.701373 # 1 HOH +1193 398 2 0.423800 42.852627 41.055557 6.429375 # 2 HOH +1194 398 2 0.423800 41.610275 40.692982 5.472758 # 2 HOH +1195 399 1 -0.847600 20.265453 13.440696 31.920338 # 1 HOH +1196 399 2 0.423800 19.591497 12.989941 32.538280 # 2 HOH +1197 399 2 0.423800 20.419825 12.627836 31.324276 # 2 HOH +1198 400 1 -0.847600 5.371572 32.399635 26.997656 # 1 HOH +1199 400 2 0.423800 5.093150 33.255039 26.460176 # 2 HOH +1200 400 2 0.423800 4.541858 31.917517 27.095743 # 2 HOH +1201 401 1 -0.847600 6.328566 36.403561 30.741570 # 1 HOH +1202 401 2 0.423800 6.534920 35.492889 30.494139 # 2 HOH +1203 401 2 0.423800 5.410417 36.588257 30.378502 # 2 HOH +1204 402 1 -0.847600 20.712858 15.051076 13.049039 # 1 HOH +1205 402 2 0.423800 21.577490 15.406913 13.488355 # 2 HOH +1206 402 2 0.423800 21.057364 14.146239 12.739816 # 2 HOH +1207 403 1 -0.847600 3.155453 34.115700 1.783535 # 1 HOH +1208 403 2 0.423800 3.554298 33.216591 2.076453 # 2 HOH +1209 403 2 0.423800 3.778122 34.403118 1.129670 # 2 HOH +1210 404 1 -0.847600 22.363285 0.579935 37.336155 # 1 HOH +1211 404 2 0.423800 23.091778 0.434126 37.999580 # 2 HOH +1212 404 2 0.423800 22.782263 1.137476 36.596313 # 2 HOH +1213 405 1 -0.847600 11.738581 40.063866 35.599594 # 1 HOH +1214 405 2 0.423800 12.469035 39.476826 35.355301 # 2 HOH +1215 405 2 0.423800 11.940711 41.036419 35.518963 # 2 HOH +1216 406 1 -0.847600 23.259048 2.505658 39.738243 # 1 HOH +1217 406 2 0.423800 23.559908 1.580322 39.524780 # 2 HOH +1218 406 2 0.423800 22.558626 2.310344 40.353569 # 2 HOH +1219 407 1 -0.847600 8.543480 5.346506 37.940037 # 1 HOH +1220 407 2 0.423800 7.635630 5.669023 37.506920 # 2 HOH +1221 407 2 0.423800 8.429996 4.379308 37.877361 # 2 HOH +1222 408 1 -0.847600 20.699997 27.496649 8.522750 # 1 HOH +1223 408 2 0.423800 21.315174 27.763971 9.278328 # 2 HOH +1224 408 2 0.423800 19.994036 28.181829 8.622102 # 2 HOH +1225 409 1 -0.847600 42.304020 30.759207 32.922764 # 1 HOH +1226 409 2 0.423800 42.019810 31.394814 33.653526 # 2 HOH +1227 409 2 0.423800 42.352459 29.945042 33.408020 # 2 HOH +1228 410 1 -0.847600 13.614281 26.693808 4.998617 # 1 HOH +1229 410 2 0.423800 14.155775 25.887749 4.700966 # 2 HOH +1230 410 2 0.423800 13.698390 27.311579 4.205263 # 2 HOH +1231 411 1 -0.847600 15.575139 32.912792 13.166980 # 1 HOH +1232 411 2 0.423800 15.053448 33.622978 13.591625 # 2 HOH +1233 411 2 0.423800 15.113187 32.254608 13.662928 # 2 HOH +1234 412 1 -0.847600 35.639893 33.186893 20.803741 # 1 HOH +1235 412 2 0.423800 36.714809 33.114952 20.900993 # 2 HOH +1236 412 2 0.423800 35.339035 33.494167 21.655714 # 2 HOH +1237 413 1 -0.847600 41.731773 20.987684 40.388203 # 1 HOH +1238 413 2 0.423800 41.161953 20.502510 39.762505 # 2 HOH +1239 413 2 0.423800 42.322887 21.568958 39.862778 # 2 HOH +1240 414 1 -0.847600 14.307567 31.446760 1.757717 # 1 HOH +1241 414 2 0.423800 14.816856 31.320286 0.979266 # 2 HOH +1242 414 2 0.423800 13.470566 31.383228 1.427238 # 2 HOH +1243 415 1 -0.847600 33.672024 27.927479 27.829483 # 1 HOH +1244 415 2 0.423800 33.084381 28.395716 27.156889 # 2 HOH +1245 415 2 0.423800 34.430809 28.675472 27.756678 # 2 HOH +1246 416 1 -0.847600 19.554562 0.666183 29.445591 # 1 HOH +1247 416 2 0.423800 20.430302 0.914219 29.763542 # 2 HOH +1248 416 2 0.423800 18.988779 1.359499 29.795692 # 2 HOH +1249 417 1 -0.847600 0.098016 4.821178 10.348184 # 1 HOH +1250 417 2 0.423800 0.320716 3.733431 10.211476 # 2 HOH +1251 417 2 0.423800 0.298844 5.182264 9.518086 # 2 HOH +1252 418 1 -0.847600 20.983835 30.122646 31.946190 # 1 HOH +1253 418 2 0.423800 20.214190 30.820843 31.941019 # 2 HOH +1254 418 2 0.423800 20.634129 29.262222 32.232655 # 2 HOH +1255 419 1 -0.847600 36.810139 17.356863 2.492268 # 1 HOH +1256 419 2 0.423800 36.082867 17.202116 3.100354 # 2 HOH +1257 419 2 0.423800 37.446503 16.846615 2.898376 # 2 HOH +1258 420 1 -0.847600 27.453810 13.350809 15.660902 # 1 HOH +1259 420 2 0.423800 26.989849 12.776540 16.383522 # 2 HOH +1260 420 2 0.423800 27.590792 12.845636 14.777377 # 2 HOH +1261 421 1 -0.847600 11.503896 32.617073 32.946049 # 1 HOH +1262 421 2 0.423800 12.112394 32.215317 32.182590 # 2 HOH +1263 421 2 0.423800 10.636088 32.427868 32.720238 # 2 HOH +1264 422 1 -0.847600 33.921562 4.709851 19.177488 # 1 HOH +1265 422 2 0.423800 33.315586 4.433702 18.470533 # 2 HOH +1266 422 2 0.423800 34.688129 5.085955 18.644667 # 2 HOH +1267 423 1 -0.847600 8.271161 0.231723 11.631411 # 1 HOH +1268 423 2 0.423800 8.211685 -0.707545 11.354908 # 2 HOH +1269 423 2 0.423800 7.474476 0.612764 11.374774 # 2 HOH +1270 424 1 -0.847600 11.576605 7.108142 33.448174 # 1 HOH +1271 424 2 0.423800 12.209975 7.117158 34.193153 # 2 HOH +1272 424 2 0.423800 11.944536 6.498599 32.663898 # 2 HOH +1273 425 1 -0.847600 43.291103 10.786180 19.178797 # 1 HOH +1274 425 2 0.423800 43.937416 10.372932 18.517223 # 2 HOH +1275 425 2 0.423800 42.553741 11.140340 18.623423 # 2 HOH +1276 426 1 -0.847600 15.081676 32.891930 9.181071 # 1 HOH +1277 426 2 0.423800 14.213995 32.966930 9.722364 # 2 HOH +1278 426 2 0.423800 14.758102 32.935829 8.344662 # 2 HOH +1279 427 1 -0.847600 36.974888 5.393787 6.732509 # 1 HOH +1280 427 2 0.423800 36.214691 5.995961 6.717147 # 2 HOH +1281 427 2 0.423800 36.461620 4.638991 6.276374 # 2 HOH +1282 428 1 -0.847600 12.815104 33.143639 10.573018 # 1 HOH +1283 428 2 0.423800 12.370734 32.222687 10.537623 # 2 HOH +1284 428 2 0.423800 12.085925 33.749588 10.344232 # 2 HOH +1285 429 1 -0.847600 32.215771 36.322109 41.392330 # 1 HOH +1286 429 2 0.423800 33.134575 36.112541 41.089153 # 2 HOH +1287 429 2 0.423800 32.351601 36.746002 42.287296 # 2 HOH +1288 430 1 -0.847600 4.137931 42.900276 39.812458 # 1 HOH +1289 430 2 0.423800 4.000922 43.488140 39.012367 # 2 HOH +1290 430 2 0.423800 3.290448 43.022598 40.283669 # 2 HOH +1291 431 1 -0.847600 4.986217 19.786535 12.423370 # 1 HOH +1292 431 2 0.423800 4.888515 18.821272 12.794037 # 2 HOH +1293 431 2 0.423800 4.416840 20.369236 13.037840 # 2 HOH +1294 432 1 -0.847600 12.895144 35.299419 31.458998 # 1 HOH +1295 432 2 0.423800 13.538611 34.542850 31.158844 # 2 HOH +1296 432 2 0.423800 12.135992 34.795467 31.878912 # 2 HOH +1297 433 1 -0.847600 1.316679 15.840177 5.431057 # 1 HOH +1298 433 2 0.423800 1.766731 16.722145 5.646922 # 2 HOH +1299 433 2 0.423800 2.105968 15.247276 4.976894 # 2 HOH +1300 434 1 -0.847600 20.273382 18.585426 19.535542 # 1 HOH +1301 434 2 0.423800 19.482389 19.181309 19.739048 # 2 HOH +1302 434 2 0.423800 20.888994 19.194372 18.993383 # 2 HOH +1303 435 1 -0.847600 11.521597 33.703442 16.702850 # 1 HOH +1304 435 2 0.423800 11.781878 33.695580 17.702078 # 2 HOH +1305 435 2 0.423800 10.566957 33.337433 16.641293 # 2 HOH +1306 436 1 -0.847600 38.050125 0.452530 41.762859 # 1 HOH +1307 436 2 0.423800 37.529881 -0.344853 42.031170 # 2 HOH +1308 436 2 0.423800 37.823853 0.566672 40.715187 # 2 HOH +1309 437 1 -0.847600 31.896873 0.792479 6.217441 # 1 HOH +1310 437 2 0.423800 31.804325 1.577733 6.879858 # 2 HOH +1311 437 2 0.423800 32.702988 0.333955 6.533456 # 2 HOH +1312 438 1 -0.847600 1.074485 2.168672 13.198577 # 1 HOH +1313 438 2 0.423800 1.931001 2.445577 12.967632 # 2 HOH +1314 438 2 0.423800 1.239499 1.844995 14.125448 # 2 HOH +1315 439 1 -0.847600 27.003889 39.325363 40.483860 # 1 HOH +1316 439 2 0.423800 27.415096 39.067726 41.331322 # 2 HOH +1317 439 2 0.423800 26.024412 39.331429 40.744335 # 2 HOH +1318 440 1 -0.847600 35.942261 15.492992 33.704861 # 1 HOH +1319 440 2 0.423800 36.050426 16.422777 33.700947 # 2 HOH +1320 440 2 0.423800 36.694527 15.175147 33.051472 # 2 HOH +1321 441 1 -0.847600 38.617283 7.647041 38.275249 # 1 HOH +1322 441 2 0.423800 38.391136 7.773901 39.242107 # 2 HOH +1323 441 2 0.423800 38.012516 7.088471 37.866074 # 2 HOH +1324 442 1 -0.847600 31.634130 15.251078 25.721582 # 1 HOH +1325 442 2 0.423800 31.770100 14.736037 26.597605 # 2 HOH +1326 442 2 0.423800 31.531912 16.209721 26.043657 # 2 HOH +1327 443 1 -0.847600 3.902939 3.959135 22.440802 # 1 HOH +1328 443 2 0.423800 4.413319 3.229435 22.242750 # 2 HOH +1329 443 2 0.423800 3.847327 4.009487 23.513559 # 2 HOH +1330 444 1 -0.847600 2.255931 23.893776 10.841911 # 1 HOH +1331 444 2 0.423800 3.024001 24.127245 11.404048 # 2 HOH +1332 444 2 0.423800 1.703685 23.192516 11.238902 # 2 HOH +1333 445 1 -0.847600 24.277864 17.011538 20.339193 # 1 HOH +1334 445 2 0.423800 23.794136 16.194763 20.456684 # 2 HOH +1335 445 2 0.423800 25.233700 16.682985 20.055346 # 2 HOH +1336 446 1 -0.847600 35.113514 20.192991 27.528296 # 1 HOH +1337 446 2 0.423800 35.350979 19.714691 28.369171 # 2 HOH +1338 446 2 0.423800 35.939758 20.513947 27.135120 # 2 HOH +1339 447 1 -0.847600 30.796432 33.744816 22.355232 # 1 HOH +1340 447 2 0.423800 31.111212 32.775036 22.392660 # 2 HOH +1341 447 2 0.423800 30.237442 33.706661 21.581408 # 2 HOH +1342 448 1 -0.847600 14.281136 12.452805 40.999981 # 1 HOH +1343 448 2 0.423800 13.698651 11.940031 41.717331 # 2 HOH +1344 448 2 0.423800 13.794733 13.417361 41.051136 # 2 HOH +1345 449 1 -0.847600 40.832184 35.974632 20.947224 # 1 HOH +1346 449 2 0.423800 41.652538 36.095215 21.446980 # 2 HOH +1347 449 2 0.423800 41.067287 35.407272 20.193571 # 2 HOH +1348 450 1 -0.847600 14.215919 27.666927 26.728865 # 1 HOH +1349 450 2 0.423800 14.920260 27.500862 26.001829 # 2 HOH +1350 450 2 0.423800 14.246767 26.826111 27.258856 # 2 HOH +1351 451 1 -0.847600 1.217087 27.704649 5.008319 # 1 HOH +1352 451 2 0.423800 0.623768 28.414843 5.185473 # 2 HOH +1353 451 2 0.423800 1.666980 27.605005 5.861692 # 2 HOH +1354 452 1 -0.847600 23.707453 30.216604 15.850904 # 1 HOH +1355 452 2 0.423800 23.892460 29.902447 16.845530 # 2 HOH +1356 452 2 0.423800 23.560194 31.179155 16.141642 # 2 HOH +1357 453 1 -0.847600 17.689552 25.283630 27.678755 # 1 HOH +1358 453 2 0.423800 18.434706 25.980330 27.773281 # 2 HOH +1359 453 2 0.423800 17.879173 24.619980 28.343781 # 2 HOH +1360 454 1 -0.847600 23.421083 10.634331 26.813789 # 1 HOH +1361 454 2 0.423800 23.162373 11.187315 25.979296 # 2 HOH +1362 454 2 0.423800 23.919258 9.853876 26.466335 # 2 HOH +1363 455 1 -0.847600 4.561626 14.806157 39.910461 # 1 HOH +1364 455 2 0.423800 4.752336 15.095755 39.043388 # 2 HOH +1365 455 2 0.423800 3.814212 15.436133 40.163830 # 2 HOH +1366 456 1 -0.847600 8.357798 2.911756 24.666973 # 1 HOH +1367 456 2 0.423800 9.117667 3.340631 25.221069 # 2 HOH +1368 456 2 0.423800 7.670647 2.670647 25.308599 # 2 HOH +1369 457 1 -0.847600 0.836317 33.359524 31.035923 # 1 HOH +1370 457 2 0.423800 0.426934 34.257557 31.297848 # 2 HOH +1371 457 2 0.423800 0.761809 32.798054 31.846155 # 2 HOH +1372 458 1 -0.847600 34.927204 21.799786 10.116937 # 1 HOH +1373 458 2 0.423800 35.025372 22.639414 10.663982 # 2 HOH +1374 458 2 0.423800 35.926575 21.599781 9.846687 # 2 HOH +1375 459 1 -0.847600 32.559303 12.435095 17.613775 # 1 HOH +1376 459 2 0.423800 31.579115 12.324571 17.379080 # 2 HOH +1377 459 2 0.423800 32.955494 12.197817 16.659962 # 2 HOH +1378 460 1 -0.847600 13.957351 39.053188 21.161238 # 1 HOH +1379 460 2 0.423800 14.101296 38.495415 20.345072 # 2 HOH +1380 460 2 0.423800 13.874961 39.916649 20.914783 # 2 HOH +1381 461 1 -0.847600 15.848163 23.123293 2.007967 # 1 HOH +1382 461 2 0.423800 15.061148 23.116396 1.336382 # 2 HOH +1383 461 2 0.423800 16.351637 23.883677 1.754429 # 2 HOH +1384 462 1 -0.847600 42.752411 38.078506 24.034079 # 1 HOH +1385 462 2 0.423800 41.916668 38.608196 23.826466 # 2 HOH +1386 462 2 0.423800 43.057163 37.653111 23.109182 # 2 HOH +1387 463 1 -0.847600 16.875580 16.013035 11.048936 # 1 HOH +1388 463 2 0.423800 16.242020 16.635769 10.429808 # 2 HOH +1389 463 2 0.423800 17.388420 15.619216 10.217388 # 2 HOH +1390 464 1 -0.847600 33.109734 34.396389 28.750652 # 1 HOH +1391 464 2 0.423800 32.209431 34.800667 28.370712 # 2 HOH +1392 464 2 0.423800 32.720356 33.617126 29.278212 # 2 HOH +1393 465 1 -0.847600 29.587551 42.248219 26.059401 # 1 HOH +1394 465 2 0.423800 28.718740 42.023941 26.497299 # 2 HOH +1395 465 2 0.423800 29.258747 42.122456 25.057123 # 2 HOH +1396 466 1 -0.847600 22.995823 30.707703 33.758831 # 1 HOH +1397 466 2 0.423800 22.444490 30.150921 33.073185 # 2 HOH +1398 466 2 0.423800 22.165159 31.290060 34.088818 # 2 HOH +1399 467 1 -0.847600 2.482635 11.848706 11.181176 # 1 HOH +1400 467 2 0.423800 3.065242 12.306443 11.876057 # 2 HOH +1401 467 2 0.423800 2.852873 12.323108 10.337752 # 2 HOH +1402 468 1 -0.847600 39.152084 25.726627 11.728494 # 1 HOH +1403 468 2 0.423800 38.435410 25.518185 11.033009 # 2 HOH +1404 468 2 0.423800 39.991821 25.452812 11.246858 # 2 HOH +1405 469 1 -0.847600 8.437840 23.013590 41.008678 # 1 HOH +1406 469 2 0.423800 9.432245 23.190081 41.174957 # 2 HOH +1407 469 2 0.423800 8.314034 22.818628 40.020157 # 2 HOH +1408 470 1 -0.847600 10.790682 9.953402 14.197055 # 1 HOH +1409 470 2 0.423800 10.770366 10.594328 14.928613 # 2 HOH +1410 470 2 0.423800 11.528972 9.298573 14.393116 # 2 HOH +1411 471 1 -0.847600 29.463869 22.427984 27.223082 # 1 HOH +1412 471 2 0.423800 28.521612 22.775009 27.402079 # 2 HOH +1413 471 2 0.423800 29.709944 22.133535 28.196648 # 2 HOH +1414 472 1 -0.847600 9.961717 24.786371 16.543465 # 1 HOH +1415 472 2 0.423800 10.288823 25.779781 16.575491 # 2 HOH +1416 472 2 0.423800 9.672175 24.594837 15.541910 # 2 HOH +1417 473 1 -0.847600 39.793827 3.143492 30.649864 # 1 HOH +1418 473 2 0.423800 39.815853 2.472168 29.903980 # 2 HOH +1419 473 2 0.423800 39.328053 2.588117 31.383129 # 2 HOH +1420 474 1 -0.847600 34.129936 9.748578 8.644139 # 1 HOH +1421 474 2 0.423800 33.654690 10.588330 8.722110 # 2 HOH +1422 474 2 0.423800 33.734909 9.091014 9.255430 # 2 HOH +1423 475 1 -0.847600 30.143520 21.505043 29.886984 # 1 HOH +1424 475 2 0.423800 30.276728 20.863260 30.532927 # 2 HOH +1425 475 2 0.423800 29.581657 22.239021 30.353918 # 2 HOH +1426 476 1 -0.847600 11.556854 37.338718 18.679312 # 1 HOH +1427 476 2 0.423800 11.864014 36.636963 19.245680 # 2 HOH +1428 476 2 0.423800 11.166332 36.945000 17.859495 # 2 HOH +1429 477 1 -0.847600 24.333239 9.528779 8.518887 # 1 HOH +1430 477 2 0.423800 24.144228 8.817840 9.122149 # 2 HOH +1431 477 2 0.423800 24.799395 10.233110 9.017662 # 2 HOH +1432 478 1 -0.847600 41.263229 32.328438 4.913064 # 1 HOH +1433 478 2 0.423800 41.418564 32.843010 5.747825 # 2 HOH +1434 478 2 0.423800 40.373650 31.909077 5.021729 # 2 HOH +1435 479 1 -0.847600 33.220757 15.079969 18.352856 # 1 HOH +1436 479 2 0.423800 34.184689 14.866774 18.522760 # 2 HOH +1437 479 2 0.423800 32.813740 14.181149 18.126945 # 2 HOH +1438 480 1 -0.847600 21.676355 12.920538 27.744820 # 1 HOH +1439 480 2 0.423800 21.968803 13.670493 27.133144 # 2 HOH +1440 480 2 0.423800 22.639578 12.428066 27.733219 # 2 HOH +1441 481 1 -0.847600 21.859137 6.890876 8.370417 # 1 HOH +1442 481 2 0.423800 21.185701 7.279120 8.984533 # 2 HOH +1443 481 2 0.423800 21.255629 6.516899 7.660300 # 2 HOH +1444 482 1 -0.847600 9.804255 7.382989 1.496042 # 1 HOH +1445 482 2 0.423800 10.398653 8.229827 1.463851 # 2 HOH +1446 482 2 0.423800 8.872814 7.711755 1.410011 # 2 HOH +1447 483 1 -0.847600 40.463634 21.322872 3.495139 # 1 HOH +1448 483 2 0.423800 39.621670 20.896225 3.751184 # 2 HOH +1449 483 2 0.423800 40.183228 21.968351 2.760661 # 2 HOH +1450 484 1 -0.847600 11.708975 26.497557 29.655180 # 1 HOH +1451 484 2 0.423800 11.410231 25.582619 29.730429 # 2 HOH +1452 484 2 0.423800 12.269556 26.700909 30.502710 # 2 HOH +1453 485 1 -0.847600 1.504958 -0.852117 26.678749 # 1 HOH +1454 485 2 0.423800 2.374206 -0.670456 26.910589 # 2 HOH +1455 485 2 0.423800 0.934458 0.057682 26.765448 # 2 HOH +1456 486 1 -0.847600 11.579106 17.404432 0.983400 # 1 HOH +1457 486 2 0.423800 11.278707 16.703239 1.720407 # 2 HOH +1458 486 2 0.423800 11.879195 18.094999 1.651865 # 2 HOH +1459 487 1 -0.847600 28.105423 8.045327 7.412497 # 1 HOH +1460 487 2 0.423800 27.345655 7.358442 7.446628 # 2 HOH +1461 487 2 0.423800 28.362591 8.169167 6.569705 # 2 HOH +1462 488 1 -0.847600 5.647001 8.418849 5.973555 # 1 HOH +1463 488 2 0.423800 4.915881 8.792273 6.493746 # 2 HOH +1464 488 2 0.423800 5.201649 7.550179 5.608429 # 2 HOH +1465 489 1 -0.847600 33.012009 6.319530 29.957912 # 1 HOH +1466 489 2 0.423800 32.290379 5.621637 30.016357 # 2 HOH +1467 489 2 0.423800 33.210140 6.243011 28.941135 # 2 HOH +1468 490 1 -0.847600 11.775391 2.645365 42.799641 # 1 HOH +1469 490 2 0.423800 12.732914 3.023525 42.934383 # 2 HOH +1470 490 2 0.423800 11.812259 2.137579 41.950657 # 2 HOH +1471 491 1 -0.847600 8.155979 6.395102 7.741267 # 1 HOH +1472 491 2 0.423800 7.893780 6.953945 6.911938 # 2 HOH +1473 491 2 0.423800 7.611831 6.963850 8.380099 # 2 HOH +1474 492 1 -0.847600 26.354954 6.534434 15.122730 # 1 HOH +1475 492 2 0.423800 26.131330 5.625764 15.090620 # 2 HOH +1476 492 2 0.423800 26.968973 6.576208 15.945515 # 2 HOH +1477 493 1 -0.847600 32.969437 25.856394 32.523006 # 1 HOH +1478 493 2 0.423800 33.706051 25.864124 33.266830 # 2 HOH +1479 493 2 0.423800 32.496445 24.944340 32.549709 # 2 HOH +1480 494 1 -0.847600 6.228764 3.606085 40.118652 # 1 HOH +1481 494 2 0.423800 6.888249 4.212563 39.997234 # 2 HOH +1482 494 2 0.423800 6.790634 2.731809 40.147705 # 2 HOH +1483 495 1 -0.847600 39.219097 1.435365 28.263409 # 1 HOH +1484 495 2 0.423800 39.882355 0.696457 28.308359 # 2 HOH +1485 495 2 0.423800 38.441612 1.027123 27.747753 # 2 HOH +1486 496 1 -0.847600 5.232028 7.332637 41.557636 # 1 HOH +1487 496 2 0.423800 6.109590 6.779041 41.757301 # 2 HOH +1488 496 2 0.423800 4.611473 6.754996 40.901920 # 2 HOH +1489 497 1 -0.847600 4.445835 3.181739 34.085449 # 1 HOH +1490 497 2 0.423800 3.605832 3.744001 34.052975 # 2 HOH +1491 497 2 0.423800 4.193087 2.453869 34.678253 # 2 HOH +1492 498 1 -0.847600 12.991256 33.489433 0.044858 # 1 HOH +1493 498 2 0.423800 13.875263 33.803951 -0.189910 # 2 HOH +1494 498 2 0.423800 12.392332 34.309624 -0.163643 # 2 HOH +1495 499 1 -0.847600 29.187815 44.017300 22.301962 # 1 HOH +1496 499 2 0.423800 28.840439 43.067692 22.294241 # 2 HOH +1497 499 2 0.423800 28.391893 44.638477 22.131731 # 2 HOH +1498 500 1 -0.847600 35.607391 20.074808 12.441149 # 1 HOH +1499 500 2 0.423800 35.435627 20.696508 11.637234 # 2 HOH +1500 500 2 0.423800 34.898064 20.219776 13.076535 # 2 HOH +1501 501 1 -0.847600 3.122044 24.088371 6.646973 # 1 HOH +1502 501 2 0.423800 3.085387 23.160486 6.176619 # 2 HOH +1503 501 2 0.423800 3.302740 24.680090 5.901991 # 2 HOH +1504 502 1 -0.847600 15.840941 14.667636 23.913548 # 1 HOH +1505 502 2 0.423800 14.950191 15.060390 24.002550 # 2 HOH +1506 502 2 0.423800 15.799257 14.204755 23.013651 # 2 HOH +1507 503 1 -0.847600 4.845736 3.822652 0.480080 # 1 HOH +1508 503 2 0.423800 4.472793 2.907833 0.113241 # 2 HOH +1509 503 2 0.423800 5.575304 4.051054 -0.181513 # 2 HOH +1510 504 1 -0.847600 11.232409 5.986715 22.984673 # 1 HOH +1511 504 2 0.423800 10.780691 6.523072 22.269327 # 2 HOH +1512 504 2 0.423800 11.028901 4.990369 22.812078 # 2 HOH +1513 505 1 -0.847600 40.084404 17.707771 3.185488 # 1 HOH +1514 505 2 0.423800 39.616272 16.941664 3.732758 # 2 HOH +1515 505 2 0.423800 39.674438 18.544273 3.527956 # 2 HOH +1516 506 1 -0.847600 27.344547 12.819833 12.875820 # 1 HOH +1517 506 2 0.423800 26.411839 12.974916 12.646599 # 2 HOH +1518 506 2 0.423800 27.788006 13.115053 12.070081 # 2 HOH +1519 507 1 -0.847600 0.319661 27.046045 9.277650 # 1 HOH +1520 507 2 0.423800 0.295483 26.153738 9.135320 # 2 HOH +1521 507 2 0.423800 0.440129 27.203917 10.253644 # 2 HOH +1522 508 1 -0.847600 6.498897 19.831060 28.429012 # 1 HOH +1523 508 2 0.423800 5.588449 19.637114 28.784082 # 2 HOH +1524 508 2 0.423800 7.061116 19.105787 28.845142 # 2 HOH +1525 509 1 -0.847600 22.614151 19.225147 37.489746 # 1 HOH +1526 509 2 0.423800 22.031065 19.538599 36.742241 # 2 HOH +1527 509 2 0.423800 22.469748 18.264080 37.581570 # 2 HOH +1528 510 1 -0.847600 10.049707 12.260798 28.283039 # 1 HOH +1529 510 2 0.423800 10.840626 11.685937 28.665157 # 2 HOH +1530 510 2 0.423800 9.654155 11.782944 27.530804 # 2 HOH +1531 511 1 -0.847600 41.557911 3.485450 28.272839 # 1 HOH +1532 511 2 0.423800 41.703106 4.492587 28.218382 # 2 HOH +1533 511 2 0.423800 40.933887 3.463583 28.977386 # 2 HOH +1534 512 1 -0.847600 11.494197 5.330002 2.218307 # 1 HOH +1535 512 2 0.423800 11.845581 4.964574 1.387129 # 2 HOH +1536 512 2 0.423800 10.716146 5.998566 2.018679 # 2 HOH +1537 513 1 -0.847600 29.089575 2.734117 33.470886 # 1 HOH +1538 513 2 0.423800 29.367151 2.368776 34.409615 # 2 HOH +1539 513 2 0.423800 28.227392 3.092680 33.607121 # 2 HOH +1540 514 1 -0.847600 7.028253 32.902901 10.351912 # 1 HOH +1541 514 2 0.423800 6.442936 32.203197 10.272679 # 2 HOH +1542 514 2 0.423800 7.349347 33.201019 9.454639 # 2 HOH +1543 515 1 -0.847600 31.577337 5.675844 7.332530 # 1 HOH +1544 515 2 0.423800 32.428638 5.440952 7.803642 # 2 HOH +1545 515 2 0.423800 30.911169 5.502750 8.128971 # 2 HOH +1546 516 1 -0.847600 14.931493 28.820803 40.599663 # 1 HOH +1547 516 2 0.423800 15.591660 28.334000 39.974266 # 2 HOH +1548 516 2 0.423800 14.114813 28.644716 40.041660 # 2 HOH +1549 517 1 -0.847600 34.815418 20.727091 3.083648 # 1 HOH +1550 517 2 0.423800 35.102139 19.833214 3.425673 # 2 HOH +1551 517 2 0.423800 35.642696 21.068237 2.622905 # 2 HOH +1552 518 1 -0.847600 11.134887 15.620679 3.027059 # 1 HOH +1553 518 2 0.423800 11.161191 14.667527 3.341326 # 2 HOH +1554 518 2 0.423800 10.206304 15.699102 2.519920 # 2 HOH +1555 519 1 -0.847600 6.493410 20.874969 8.705829 # 1 HOH +1556 519 2 0.423800 6.984408 20.624306 9.589521 # 2 HOH +1557 519 2 0.423800 5.777116 21.521410 8.957099 # 2 HOH +1558 520 1 -0.847600 5.958227 10.148240 30.100811 # 1 HOH +1559 520 2 0.423800 5.225322 9.532114 30.076113 # 2 HOH +1560 520 2 0.423800 5.908564 10.506006 31.074179 # 2 HOH +1561 521 1 -0.847600 23.436064 32.728382 11.555069 # 1 HOH +1562 521 2 0.423800 23.180021 33.674877 11.225826 # 2 HOH +1563 521 2 0.423800 23.580145 32.867931 12.526068 # 2 HOH +1564 522 1 -0.847600 29.809509 11.505849 20.027264 # 1 HOH +1565 522 2 0.423800 29.823427 12.042359 19.250597 # 2 HOH +1566 522 2 0.423800 29.375963 12.107587 20.624702 # 2 HOH +1567 523 1 -0.847600 35.793625 7.945858 4.532596 # 1 HOH +1568 523 2 0.423800 36.317757 8.144270 5.362289 # 2 HOH +1569 523 2 0.423800 35.269653 7.173883 4.787792 # 2 HOH +1570 524 1 -0.847600 6.229208 34.226490 28.987886 # 1 HOH +1571 524 2 0.423800 6.554545 33.691895 28.077423 # 2 HOH +1572 524 2 0.423800 6.204069 33.616970 29.734724 # 2 HOH +1573 525 1 -0.847600 38.770817 38.595448 20.909782 # 1 HOH +1574 525 2 0.423800 38.597488 37.602642 20.881632 # 2 HOH +1575 525 2 0.423800 38.111736 38.961971 20.247593 # 2 HOH +1576 526 1 -0.847600 40.943886 11.124291 39.929909 # 1 HOH +1577 526 2 0.423800 40.258549 11.023075 39.183884 # 2 HOH +1578 526 2 0.423800 41.707947 10.470764 39.535099 # 2 HOH +1579 527 1 -0.847600 8.781460 2.280643 32.400734 # 1 HOH +1580 527 2 0.423800 8.547439 3.158602 32.654350 # 2 HOH +1581 527 2 0.423800 9.268280 1.912548 33.138058 # 2 HOH +1582 528 1 -0.847600 12.828103 35.367481 20.281502 # 1 HOH +1583 528 2 0.423800 12.539710 34.527855 19.935015 # 2 HOH +1584 528 2 0.423800 12.401292 35.423244 21.144285 # 2 HOH +1585 529 1 -0.847600 23.145449 1.680662 12.365215 # 1 HOH +1586 529 2 0.423800 23.161924 1.749517 13.437986 # 2 HOH +1587 529 2 0.423800 22.481909 0.980534 12.145596 # 2 HOH +1588 530 1 -0.847600 25.040142 31.211203 19.772146 # 1 HOH +1589 530 2 0.423800 24.726078 31.744173 20.545792 # 2 HOH +1590 530 2 0.423800 24.321663 31.340658 19.083418 # 2 HOH +1591 531 1 -0.847600 26.474747 16.089771 21.312044 # 1 HOH +1592 531 2 0.423800 26.497763 15.691221 22.177282 # 2 HOH +1593 531 2 0.423800 27.444946 16.092615 21.134985 # 2 HOH +1594 532 1 -0.847600 32.749203 19.427546 30.546265 # 1 HOH +1595 532 2 0.423800 31.937027 18.843119 30.507338 # 2 HOH +1596 532 2 0.423800 32.760677 19.750959 29.609083 # 2 HOH +1597 533 1 -0.847600 3.717173 8.626598 30.391092 # 1 HOH +1598 533 2 0.423800 2.813595 9.004187 30.348639 # 2 HOH +1599 533 2 0.423800 3.658247 8.024945 31.202976 # 2 HOH +1600 534 1 -0.847600 14.376772 36.684139 22.799139 # 1 HOH +1601 534 2 0.423800 13.692948 36.124767 22.373260 # 2 HOH +1602 534 2 0.423800 14.333552 37.586323 22.424305 # 2 HOH +1603 535 1 -0.847600 17.960241 31.448103 8.883677 # 1 HOH +1604 535 2 0.423800 17.691742 32.127804 9.557219 # 2 HOH +1605 535 2 0.423800 17.571892 31.751934 8.044312 # 2 HOH +1606 536 1 -0.847600 25.200087 21.591459 28.870548 # 1 HOH +1607 536 2 0.423800 25.548645 22.353437 28.258099 # 2 HOH +1608 536 2 0.423800 25.032055 20.789125 28.332329 # 2 HOH +1609 537 1 -0.847600 10.925814 44.957207 14.126217 # 1 HOH +1610 537 2 0.423800 10.457795 44.016991 13.995750 # 2 HOH +1611 537 2 0.423800 10.780720 45.307564 13.127196 # 2 HOH +1612 538 1 -0.847600 40.826733 16.715633 19.426380 # 1 HOH +1613 538 2 0.423800 39.995155 16.157200 19.030514 # 2 HOH +1614 538 2 0.423800 41.599464 16.079060 19.782825 # 2 HOH +1615 539 1 -0.847600 3.695847 1.098631 24.418526 # 1 HOH +1616 539 2 0.423800 4.346446 1.267424 25.147148 # 2 HOH +1617 539 2 0.423800 4.194944 1.122553 23.523630 # 2 HOH +1618 540 1 -0.847600 6.855977 12.929211 34.440407 # 1 HOH +1619 540 2 0.423800 7.159635 13.157098 35.339256 # 2 HOH +1620 540 2 0.423800 6.375991 13.707424 34.202950 # 2 HOH +1621 541 1 -0.847600 33.675228 4.167324 24.355307 # 1 HOH +1622 541 2 0.423800 32.905170 3.946962 23.816788 # 2 HOH +1623 541 2 0.423800 33.754082 5.140707 24.070208 # 2 HOH +1624 542 1 -0.847600 32.495152 21.737696 24.079836 # 1 HOH +1625 542 2 0.423800 32.617287 21.613573 23.117273 # 2 HOH +1626 542 2 0.423800 31.511789 21.569929 24.330395 # 2 HOH +1627 543 1 -0.847600 22.962879 29.998133 22.418015 # 1 HOH +1628 543 2 0.423800 23.111359 30.962534 22.399664 # 2 HOH +1629 543 2 0.423800 22.065651 29.774162 21.972307 # 2 HOH +1630 544 1 -0.847600 6.101808 38.711987 34.368469 # 1 HOH +1631 544 2 0.423800 6.258025 39.590714 34.867275 # 2 HOH +1632 544 2 0.423800 6.504410 38.965385 33.378532 # 2 HOH +1633 545 1 -0.847600 3.978937 13.357531 12.868830 # 1 HOH +1634 545 2 0.423800 3.176646 13.872582 13.157129 # 2 HOH +1635 545 2 0.423800 4.217961 13.895293 12.029146 # 2 HOH +1636 546 1 -0.847600 40.427448 8.528769 29.232578 # 1 HOH +1637 546 2 0.423800 40.098392 8.851042 30.129255 # 2 HOH +1638 546 2 0.423800 39.792141 8.880027 28.458721 # 2 HOH +1639 547 1 -0.847600 30.568632 13.362982 2.757137 # 1 HOH +1640 547 2 0.423800 29.538971 13.541284 2.724851 # 2 HOH +1641 547 2 0.423800 30.921192 12.858731 1.870503 # 2 HOH +1642 548 1 -0.847600 42.621769 19.391882 28.719057 # 1 HOH +1643 548 2 0.423800 43.043259 18.967775 29.449800 # 2 HOH +1644 548 2 0.423800 41.729774 19.147575 28.771084 # 2 HOH +1645 549 1 -0.847600 38.102200 6.449026 16.812538 # 1 HOH +1646 549 2 0.423800 38.065548 6.624475 15.775865 # 2 HOH +1647 549 2 0.423800 38.929138 5.947593 17.111710 # 2 HOH +1648 550 1 -0.847600 20.183302 39.767406 37.225082 # 1 HOH +1649 550 2 0.423800 21.020617 40.072002 36.602936 # 2 HOH +1650 550 2 0.423800 20.342215 38.846786 37.479992 # 2 HOH +1651 551 1 -0.847600 31.874830 44.901917 13.779446 # 1 HOH +1652 551 2 0.423800 31.328314 45.491665 13.046936 # 2 HOH +1653 551 2 0.423800 32.872566 45.101574 13.642405 # 2 HOH +1654 552 1 -0.847600 32.372410 20.216797 27.971550 # 1 HOH +1655 552 2 0.423800 32.145435 21.224606 27.788542 # 2 HOH +1656 552 2 0.423800 33.312862 20.350729 27.851837 # 2 HOH +1657 553 1 -0.847600 34.826374 23.357115 14.731556 # 1 HOH +1658 553 2 0.423800 34.834099 23.197071 15.757060 # 2 HOH +1659 553 2 0.423800 35.471916 22.780128 14.400663 # 2 HOH +1660 554 1 -0.847600 7.768833 38.436409 21.894545 # 1 HOH +1661 554 2 0.423800 7.824957 37.762177 21.191467 # 2 HOH +1662 554 2 0.423800 8.201923 39.307819 21.534079 # 2 HOH +1663 555 1 -0.847600 11.496888 16.854637 27.256783 # 1 HOH +1664 555 2 0.423800 11.289574 17.325846 26.392792 # 2 HOH +1665 555 2 0.423800 10.723949 16.206497 27.539385 # 2 HOH +1666 556 1 -0.847600 27.565329 11.974277 3.801092 # 1 HOH +1667 556 2 0.423800 27.818169 12.770392 3.138466 # 2 HOH +1668 556 2 0.423800 28.334681 11.833205 4.450068 # 2 HOH +1669 557 1 -0.847600 2.335350 43.533859 8.383677 # 1 HOH +1670 557 2 0.423800 1.395881 43.759060 8.763972 # 2 HOH +1671 557 2 0.423800 2.979988 43.502861 9.139411 # 2 HOH +1672 558 1 -0.847600 7.709108 13.464713 1.986519 # 1 HOH +1673 558 2 0.423800 7.357234 13.041966 1.162981 # 2 HOH +1674 558 2 0.423800 8.200028 14.249827 1.612499 # 2 HOH +1675 559 1 -0.847600 10.097432 21.305782 35.245377 # 1 HOH +1676 559 2 0.423800 9.597337 22.046392 34.800060 # 2 HOH +1677 559 2 0.423800 9.649526 20.476255 34.918720 # 2 HOH +1678 560 1 -0.847600 32.334785 23.067265 11.843073 # 1 HOH +1679 560 2 0.423800 33.040012 23.045589 11.174365 # 2 HOH +1680 560 2 0.423800 32.532249 22.202286 12.315333 # 2 HOH +1681 561 1 -0.847600 15.871383 4.778803 29.973017 # 1 HOH +1682 561 2 0.423800 15.284647 5.397389 30.465454 # 2 HOH +1683 561 2 0.423800 15.443463 4.662292 29.048494 # 2 HOH +1684 562 1 -0.847600 33.362076 28.870543 23.704540 # 1 HOH +1685 562 2 0.423800 34.222233 29.274042 23.344009 # 2 HOH +1686 562 2 0.423800 33.735695 27.917145 23.929077 # 2 HOH +1687 563 1 -0.847600 12.693851 2.324558 3.910682 # 1 HOH +1688 563 2 0.423800 13.565899 1.936475 4.248802 # 2 HOH +1689 563 2 0.423800 12.368463 2.979733 4.639376 # 2 HOH +1690 564 1 -0.847600 2.176830 16.924740 9.254127 # 1 HOH +1691 564 2 0.423800 1.325824 17.283026 8.921253 # 2 HOH +1692 564 2 0.423800 2.504158 17.761072 9.658149 # 2 HOH +1693 565 1 -0.847600 42.240238 22.981422 5.364449 # 1 HOH +1694 565 2 0.423800 41.928143 22.291103 4.740613 # 2 HOH +1695 565 2 0.423800 41.350273 23.328041 5.724242 # 2 HOH +1696 566 1 -0.847600 17.829435 40.714279 8.217458 # 1 HOH +1697 566 2 0.423800 18.099230 40.525394 9.170097 # 2 HOH +1698 566 2 0.423800 17.551365 41.679516 8.303236 # 2 HOH +1699 567 1 -0.847600 21.821358 33.438950 1.998747 # 1 HOH +1700 567 2 0.423800 22.089254 33.311783 0.997888 # 2 HOH +1701 567 2 0.423800 22.727468 33.742298 2.420477 # 2 HOH +1702 568 1 -0.847600 15.508950 1.227103 30.669767 # 1 HOH +1703 568 2 0.423800 15.782923 0.979092 29.823610 # 2 HOH +1704 568 2 0.423800 15.778616 0.586812 31.347601 # 2 HOH +1705 569 1 -0.847600 28.386477 45.158337 5.012491 # 1 HOH +1706 569 2 0.423800 29.249422 44.767231 4.591403 # 2 HOH +1707 569 2 0.423800 27.843246 45.272007 4.163291 # 2 HOH +1708 570 1 -0.847600 42.150387 36.729488 1.080024 # 1 HOH +1709 570 2 0.423800 42.860291 36.037033 1.099068 # 2 HOH +1710 570 2 0.423800 41.544739 36.632984 0.351608 # 2 HOH +1711 571 1 -0.847600 35.495052 4.033162 21.696739 # 1 HOH +1712 571 2 0.423800 34.502941 4.236168 21.377676 # 2 HOH +1713 571 2 0.423800 35.471382 4.160538 22.715443 # 2 HOH +1714 572 1 -0.847600 19.225985 27.023367 35.220444 # 1 HOH +1715 572 2 0.423800 19.767883 27.475485 35.892136 # 2 HOH +1716 572 2 0.423800 19.742792 27.252018 34.413860 # 2 HOH +1717 573 1 -0.847600 14.429324 31.233961 28.292416 # 1 HOH +1718 573 2 0.423800 14.764606 31.935774 27.635750 # 2 HOH +1719 573 2 0.423800 13.874510 30.619671 27.821957 # 2 HOH +1720 574 1 -0.847600 20.101046 8.319828 16.584150 # 1 HOH +1721 574 2 0.423800 20.688015 7.876810 17.326294 # 2 HOH +1722 574 2 0.423800 20.417881 9.288429 16.495525 # 2 HOH +1723 575 1 -0.847600 22.373600 20.288670 6.029128 # 1 HOH +1724 575 2 0.423800 22.442104 19.304903 6.035561 # 2 HOH +1725 575 2 0.423800 23.182432 20.533564 6.549031 # 2 HOH +1726 576 1 -0.847600 24.569899 42.513157 27.722115 # 1 HOH +1727 576 2 0.423800 24.238165 42.947876 28.558157 # 2 HOH +1728 576 2 0.423800 23.836044 41.807919 27.653212 # 2 HOH +1729 577 1 -0.847600 43.118443 32.577404 14.283820 # 1 HOH +1730 577 2 0.423800 42.465954 32.289703 15.008741 # 2 HOH +1731 577 2 0.423800 42.448154 32.748680 13.533950 # 2 HOH +1732 578 1 -0.847600 3.949932 19.513317 23.900082 # 1 HOH +1733 578 2 0.423800 3.500192 18.802391 23.310478 # 2 HOH +1734 578 2 0.423800 4.247025 20.270590 23.342175 # 2 HOH +1735 579 1 -0.847600 13.228628 25.642132 15.466158 # 1 HOH +1736 579 2 0.423800 13.790885 25.663980 14.633236 # 2 HOH +1737 579 2 0.423800 12.232474 25.808010 15.216103 # 2 HOH +1738 580 1 -0.847600 32.881969 23.834705 35.978966 # 1 HOH +1739 580 2 0.423800 33.578472 23.165289 35.493710 # 2 HOH +1740 580 2 0.423800 32.115707 23.812786 35.412472 # 2 HOH +1741 581 1 -0.847600 36.604687 44.681187 33.379074 # 1 HOH +1742 581 2 0.423800 37.275677 44.515934 34.091293 # 2 HOH +1743 581 2 0.423800 36.398869 43.776463 33.008572 # 2 HOH +1744 582 1 -0.847600 13.137108 15.310358 23.345194 # 1 HOH +1745 582 2 0.423800 12.657209 16.155987 23.764383 # 2 HOH +1746 582 2 0.423800 12.653691 15.131781 22.441179 # 2 HOH +1747 583 1 -0.847600 34.469501 44.370178 36.625999 # 1 HOH +1748 583 2 0.423800 35.402016 44.593956 36.645287 # 2 HOH +1749 583 2 0.423800 34.359871 43.412022 36.332405 # 2 HOH +1750 584 1 -0.847600 4.648345 28.374273 22.488953 # 1 HOH +1751 584 2 0.423800 5.034333 27.532946 22.669317 # 2 HOH +1752 584 2 0.423800 5.469968 29.022209 22.594555 # 2 HOH +1753 585 1 -0.847600 15.292683 13.904058 8.372762 # 1 HOH +1754 585 2 0.423800 15.265965 13.581927 7.426348 # 2 HOH +1755 585 2 0.423800 15.871593 14.589270 8.402977 # 2 HOH +1756 586 1 -0.847600 7.833192 24.846712 30.949600 # 1 HOH +1757 586 2 0.423800 7.161406 24.563488 31.783022 # 2 HOH +1758 586 2 0.423800 8.776691 24.734398 31.454985 # 2 HOH +1759 587 1 -0.847600 13.522976 24.782425 18.185595 # 1 HOH +1760 587 2 0.423800 12.757861 24.169321 18.402960 # 2 HOH +1761 587 2 0.423800 13.292350 25.200674 17.265789 # 2 HOH +1762 588 1 -0.847600 38.759518 36.552689 1.722221 # 1 HOH +1763 588 2 0.423800 38.497791 37.052124 0.934927 # 2 HOH +1764 588 2 0.423800 38.223804 36.789570 2.544940 # 2 HOH +1765 589 1 -0.847600 25.116531 2.267209 10.411772 # 1 HOH +1766 589 2 0.423800 24.607756 1.941489 11.080712 # 2 HOH +1767 589 2 0.423800 25.242081 1.484627 9.703997 # 2 HOH +1768 590 1 -0.847600 36.847202 30.157869 15.487780 # 1 HOH +1769 590 2 0.423800 37.309513 29.738602 14.727870 # 2 HOH +1770 590 2 0.423800 36.265816 29.302504 15.798111 # 2 HOH +1771 591 1 -0.847600 32.788067 20.513596 13.192865 # 1 HOH +1772 591 2 0.423800 32.316441 19.672613 13.057268 # 2 HOH +1773 591 2 0.423800 32.167793 20.988247 13.826344 # 2 HOH +1774 592 1 -0.847600 10.867925 41.475349 0.273259 # 1 HOH +1775 592 2 0.423800 11.132723 41.022015 1.141593 # 2 HOH +1776 592 2 0.423800 10.425162 40.721699 -0.177996 # 2 HOH +1777 593 1 -0.847600 27.088818 25.864742 14.188405 # 1 HOH +1778 593 2 0.423800 26.805004 26.824123 14.657470 # 2 HOH +1779 593 2 0.423800 27.923170 25.959717 13.639529 # 2 HOH +1780 594 1 -0.847600 8.929338 4.977633 33.203480 # 1 HOH +1781 594 2 0.423800 9.211805 5.320376 32.289742 # 2 HOH +1782 594 2 0.423800 7.991121 5.219350 33.410812 # 2 HOH +1783 595 1 -0.847600 17.488319 8.595821 3.833495 # 1 HOH +1784 595 2 0.423800 17.077820 8.200368 3.004054 # 2 HOH +1785 595 2 0.423800 18.468916 8.399343 3.616100 # 2 HOH +1786 596 1 -0.847600 42.444977 15.483912 26.255968 # 1 HOH +1787 596 2 0.423800 42.694176 15.935949 27.040504 # 2 HOH +1788 596 2 0.423800 41.458088 15.403371 26.210867 # 2 HOH +1789 597 1 -0.847600 32.094524 37.480125 25.825319 # 1 HOH +1790 597 2 0.423800 32.074368 38.369167 26.420422 # 2 HOH +1791 597 2 0.423800 31.956814 36.749924 26.487747 # 2 HOH +1792 598 1 -0.847600 1.777247 13.495993 29.616596 # 1 HOH +1793 598 2 0.423800 1.454063 13.287888 28.724533 # 2 HOH +1794 598 2 0.423800 2.394707 14.292485 29.384762 # 2 HOH +1795 599 1 -0.847600 9.672106 9.645226 31.893305 # 1 HOH +1796 599 2 0.423800 9.517751 10.406229 32.635136 # 2 HOH +1797 599 2 0.423800 9.877553 8.903380 32.426983 # 2 HOH +1798 600 1 -0.847600 12.885097 43.377987 9.040598 # 1 HOH +1799 600 2 0.423800 12.251581 42.882427 8.501245 # 2 HOH +1800 600 2 0.423800 12.754081 44.426315 8.885036 # 2 HOH +1801 601 1 -0.847600 23.979475 10.603020 21.388851 # 1 HOH +1802 601 2 0.423800 24.434652 11.523174 21.375938 # 2 HOH +1803 601 2 0.423800 24.236612 10.238618 22.349237 # 2 HOH +1804 602 1 -0.847600 16.745253 4.403055 17.554993 # 1 HOH +1805 602 2 0.423800 16.391603 4.139890 18.481005 # 2 HOH +1806 602 2 0.423800 16.957254 3.498822 17.098934 # 2 HOH +1807 603 1 -0.847600 35.166477 18.052856 31.186609 # 1 HOH +1808 603 2 0.423800 34.265907 18.526953 31.277437 # 2 HOH +1809 603 2 0.423800 35.008808 17.141237 31.351479 # 2 HOH +1810 604 1 -0.847600 7.595180 27.106720 24.741505 # 1 HOH +1811 604 2 0.423800 8.174583 27.186644 23.911205 # 2 HOH +1812 604 2 0.423800 8.329781 27.277225 25.531975 # 2 HOH +1813 605 1 -0.847600 40.757607 21.909981 13.832462 # 1 HOH +1814 605 2 0.423800 40.336731 21.809496 12.943403 # 2 HOH +1815 605 2 0.423800 41.396168 22.612888 13.847038 # 2 HOH +1816 606 1 -0.847600 10.660424 13.674551 37.182415 # 1 HOH +1817 606 2 0.423800 11.436927 13.368246 37.759777 # 2 HOH +1818 606 2 0.423800 9.938066 13.116790 37.632999 # 2 HOH +1819 607 1 -0.847600 29.534740 8.721638 5.041738 # 1 HOH +1820 607 2 0.423800 29.929506 8.840539 4.030754 # 2 HOH +1821 607 2 0.423800 28.713820 8.203466 4.739001 # 2 HOH +1822 608 1 -0.847600 15.055387 25.876644 13.382271 # 1 HOH +1823 608 2 0.423800 14.935584 25.404842 12.457967 # 2 HOH +1824 608 2 0.423800 15.866307 25.470852 13.770016 # 2 HOH +1825 609 1 -0.847600 30.786722 28.833174 4.538755 # 1 HOH +1826 609 2 0.423800 31.409050 29.468231 4.999667 # 2 HOH +1827 609 2 0.423800 29.945650 28.972261 5.168195 # 2 HOH +1828 610 1 -0.847600 1.700686 1.429030 15.995964 # 1 HOH +1829 610 2 0.423800 1.998174 0.544537 16.286308 # 2 HOH +1830 610 2 0.423800 2.636739 1.894592 15.664682 # 2 HOH +1831 611 1 -0.847600 31.241982 38.129913 10.955967 # 1 HOH +1832 611 2 0.423800 32.114140 37.616070 10.992959 # 2 HOH +1833 611 2 0.423800 30.690840 37.567841 10.351083 # 2 HOH +1834 612 1 -0.847600 5.869205 41.697098 28.777300 # 1 HOH +1835 612 2 0.423800 6.289052 40.828655 28.349020 # 2 HOH +1836 612 2 0.423800 6.079278 41.435596 29.881361 # 2 HOH +1837 613 1 -0.847600 40.844292 21.316341 16.691942 # 1 HOH +1838 613 2 0.423800 40.970963 21.655525 15.666390 # 2 HOH +1839 613 2 0.423800 41.300117 22.080242 17.102863 # 2 HOH +1840 614 1 -0.847600 8.795407 41.735188 35.580715 # 1 HOH +1841 614 2 0.423800 9.277591 42.201981 36.314831 # 2 HOH +1842 614 2 0.423800 9.028740 40.736248 35.841667 # 2 HOH +1843 615 1 -0.847600 6.470165 2.964598 29.458879 # 1 HOH +1844 615 2 0.423800 6.588493 4.001884 29.614208 # 2 HOH +1845 615 2 0.423800 5.673878 2.763621 30.086365 # 2 HOH +1846 616 1 -0.847600 6.135203 44.288845 41.665668 # 1 HOH +1847 616 2 0.423800 5.594181 44.993286 41.255569 # 2 HOH +1848 616 2 0.423800 5.505829 43.538147 41.673641 # 2 HOH +1849 617 1 -0.847600 -0.154388 39.422016 40.028141 # 1 HOH +1850 617 2 0.423800 -0.176257 38.474415 39.603622 # 2 HOH +1851 617 2 0.423800 0.335374 39.155437 40.915703 # 2 HOH +1852 618 1 -0.847600 39.734142 33.828583 0.874224 # 1 HOH +1853 618 2 0.423800 40.181892 33.204205 1.507003 # 2 HOH +1854 618 2 0.423800 39.624210 34.713936 1.389792 # 2 HOH +1855 619 1 -0.847600 6.823215 25.672777 1.389239 # 1 HOH +1856 619 2 0.423800 6.752761 26.067518 0.361396 # 2 HOH +1857 619 2 0.423800 5.970446 25.106989 1.517047 # 2 HOH +1858 620 1 -0.847600 12.916370 29.429300 22.848255 # 1 HOH +1859 620 2 0.423800 13.728987 29.797878 22.428036 # 2 HOH +1860 620 2 0.423800 13.140889 28.390799 22.874744 # 2 HOH +1861 621 1 -0.847600 7.522642 40.018112 9.819394 # 1 HOH +1862 621 2 0.423800 7.591667 40.474407 10.711374 # 2 HOH +1863 621 2 0.423800 8.425668 39.979908 9.362359 # 2 HOH +1864 622 1 -0.847600 13.052673 13.231605 38.511990 # 1 HOH +1865 622 2 0.423800 13.392674 12.877027 37.668766 # 2 HOH +1866 622 2 0.423800 13.602810 12.783363 39.228428 # 2 HOH +1867 623 1 -0.847600 8.889427 42.829945 14.702997 # 1 HOH +1868 623 2 0.423800 9.483339 42.555580 15.467823 # 2 HOH +1869 623 2 0.423800 7.972089 42.995487 15.041183 # 2 HOH +1870 624 1 -0.847600 22.568253 33.493996 41.710400 # 1 HOH +1871 624 2 0.423800 22.725996 32.754932 40.963177 # 2 HOH +1872 624 2 0.423800 23.382881 34.065220 41.811192 # 2 HOH +1873 625 1 -0.847600 32.277916 15.645619 2.645570 # 1 HOH +1874 625 2 0.423800 33.191086 15.242497 2.444181 # 2 HOH +1875 625 2 0.423800 31.576939 14.821512 2.724177 # 2 HOH +1876 626 1 -0.847600 20.117949 15.498985 0.181435 # 1 HOH +1877 626 2 0.423800 20.635916 16.256332 -0.190887 # 2 HOH +1878 626 2 0.423800 19.897997 14.780509 -0.537777 # 2 HOH +1879 627 1 -0.847600 34.680069 42.451420 16.380369 # 1 HOH +1880 627 2 0.423800 34.041462 42.680130 15.728468 # 2 HOH +1881 627 2 0.423800 34.615307 41.422432 16.417490 # 2 HOH +1882 628 1 -0.847600 9.370746 40.805462 29.475389 # 1 HOH +1883 628 2 0.423800 9.597467 41.418053 28.708950 # 2 HOH +1884 628 2 0.423800 9.339092 39.834133 29.125031 # 2 HOH +1885 629 1 -0.847600 1.668358 39.199291 32.954868 # 1 HOH +1886 629 2 0.423800 1.925634 38.224529 32.820667 # 2 HOH +1887 629 2 0.423800 1.685007 39.389084 33.939766 # 2 HOH +1888 630 1 -0.847600 26.944630 33.156898 3.381501 # 1 HOH +1889 630 2 0.423800 27.636339 33.732765 3.700685 # 2 HOH +1890 630 2 0.423800 26.988310 32.371647 4.027969 # 2 HOH +1891 631 1 -0.847600 31.292204 8.804407 7.199889 # 1 HOH +1892 631 2 0.423800 30.621317 8.616608 6.478967 # 2 HOH +1893 631 2 0.423800 31.416965 7.835467 7.478114 # 2 HOH +1894 632 1 -0.847600 39.390049 6.647380 26.972721 # 1 HOH +1895 632 2 0.423800 39.069889 5.785434 27.136436 # 2 HOH +1896 632 2 0.423800 40.338936 6.456695 27.249279 # 2 HOH +1897 633 1 -0.847600 39.804176 10.671361 21.852409 # 1 HOH +1898 633 2 0.423800 40.279160 11.326066 22.428988 # 2 HOH +1899 633 2 0.423800 40.523281 10.176686 21.409798 # 2 HOH +1900 634 1 -0.847600 39.900940 5.554277 4.232287 # 1 HOH +1901 634 2 0.423800 40.916821 5.582455 4.284334 # 2 HOH +1902 634 2 0.423800 39.600105 5.747137 5.255727 # 2 HOH +1903 635 1 -0.847600 4.404891 22.822538 8.837921 # 1 HOH +1904 635 2 0.423800 3.931203 23.373375 9.509419 # 2 HOH +1905 635 2 0.423800 4.361423 23.378380 8.028073 # 2 HOH +1906 636 1 -0.847600 11.205439 30.669777 25.184618 # 1 HOH +1907 636 2 0.423800 11.838898 30.192907 24.594435 # 2 HOH +1908 636 2 0.423800 10.242434 30.389862 25.103285 # 2 HOH +1909 637 1 -0.847600 0.931829 3.556923 22.489023 # 1 HOH +1910 637 2 0.423800 1.937379 3.774846 22.376984 # 2 HOH +1911 637 2 0.423800 0.577316 3.963728 21.571665 # 2 HOH +1912 638 1 -0.847600 0.814371 20.308908 24.331881 # 1 HOH +1913 638 2 0.423800 1.699160 20.270679 24.786291 # 2 HOH +1914 638 2 0.423800 0.545938 21.283407 24.198641 # 2 HOH +1915 639 1 -0.847600 2.851582 9.330998 36.879086 # 1 HOH +1916 639 2 0.423800 3.691493 8.805239 36.740242 # 2 HOH +1917 639 2 0.423800 2.233101 8.822564 37.458874 # 2 HOH +1918 640 1 -0.847600 15.297621 41.122391 5.830768 # 1 HOH +1919 640 2 0.423800 14.935015 41.932137 6.204630 # 2 HOH +1920 640 2 0.423800 16.231319 41.130848 6.145808 # 2 HOH +1921 641 1 -0.847600 14.739316 19.685686 13.557099 # 1 HOH +1922 641 2 0.423800 15.681827 19.369459 13.438956 # 2 HOH +1923 641 2 0.423800 14.798951 20.649019 13.730598 # 2 HOH +1924 642 1 -0.847600 31.770260 42.592880 35.627556 # 1 HOH +1925 642 2 0.423800 32.548775 41.978100 35.772270 # 2 HOH +1926 642 2 0.423800 30.930836 42.090092 35.675873 # 2 HOH +1927 643 1 -0.847600 41.308121 22.713261 24.518929 # 1 HOH +1928 643 2 0.423800 41.327808 21.964624 25.197592 # 2 HOH +1929 643 2 0.423800 42.242352 22.844706 24.373356 # 2 HOH +1930 644 1 -0.847600 28.536211 30.948975 13.251614 # 1 HOH +1931 644 2 0.423800 28.054258 31.074589 14.143092 # 2 HOH +1932 644 2 0.423800 27.764599 30.699215 12.569788 # 2 HOH +1933 645 1 -0.847600 8.871984 15.172451 21.368698 # 1 HOH +1934 645 2 0.423800 8.298370 14.607867 20.752945 # 2 HOH +1935 645 2 0.423800 9.654971 14.660235 21.481808 # 2 HOH +1936 646 1 -0.847600 21.924568 16.903118 23.756157 # 1 HOH +1937 646 2 0.423800 21.765514 17.756596 23.181051 # 2 HOH +1938 646 2 0.423800 21.915831 17.448769 24.551537 # 2 HOH +1939 647 1 -0.847600 33.469761 0.729560 22.476406 # 1 HOH +1940 647 2 0.423800 32.543137 0.319142 22.514135 # 2 HOH +1941 647 2 0.423800 33.208179 1.569956 22.152515 # 2 HOH +1942 648 1 -0.847600 41.954624 43.076550 30.834080 # 1 HOH +1943 648 2 0.423800 42.545475 42.546768 31.493059 # 2 HOH +1944 648 2 0.423800 41.301716 43.683460 31.378353 # 2 HOH +1945 649 1 -0.847600 22.058176 19.444727 34.957432 # 1 HOH +1946 649 2 0.423800 21.130524 19.677820 34.612217 # 2 HOH +1947 649 2 0.423800 22.558331 19.974964 34.337196 # 2 HOH +1948 650 1 -0.847600 27.207670 20.025707 11.011711 # 1 HOH +1949 650 2 0.423800 26.753725 20.842535 11.360715 # 2 HOH +1950 650 2 0.423800 26.397968 19.330839 11.084401 # 2 HOH +1951 651 1 -0.847600 43.315670 36.528446 39.385830 # 1 HOH +1952 651 2 0.423800 42.765244 36.305962 40.211555 # 2 HOH +1953 651 2 0.423800 44.251804 36.344902 39.730759 # 2 HOH +1954 652 1 -0.847600 41.839458 41.114212 15.143486 # 1 HOH +1955 652 2 0.423800 41.427876 41.253868 16.102257 # 2 HOH +1956 652 2 0.423800 41.240955 40.526466 14.702896 # 2 HOH +1957 653 1 -0.847600 25.407787 13.594642 6.675808 # 1 HOH +1958 653 2 0.423800 25.513975 14.118159 5.902027 # 2 HOH +1959 653 2 0.423800 24.690228 14.068954 7.201771 # 2 HOH +1960 654 1 -0.847600 13.211534 35.491604 6.563318 # 1 HOH +1961 654 2 0.423800 13.621602 36.022842 5.845302 # 2 HOH +1962 654 2 0.423800 13.928501 35.590176 7.356231 # 2 HOH +1963 655 1 -0.847600 27.981464 13.266663 21.012924 # 1 HOH +1964 655 2 0.423800 26.978848 13.352096 21.111027 # 2 HOH +1965 655 2 0.423800 28.323542 14.015112 20.386818 # 2 HOH +1966 656 1 -0.847600 41.643841 35.229595 18.162775 # 1 HOH +1967 656 2 0.423800 41.974522 36.192181 18.235332 # 2 HOH +1968 656 2 0.423800 40.704464 35.397141 17.951473 # 2 HOH +1969 657 1 -0.847600 6.355236 14.351796 23.189991 # 1 HOH +1970 657 2 0.423800 6.692586 15.295707 23.248159 # 2 HOH +1971 657 2 0.423800 7.243393 13.857744 23.072414 # 2 HOH +1972 658 1 -0.847600 11.731958 23.800743 6.384672 # 1 HOH +1973 658 2 0.423800 11.542051 23.863022 5.316368 # 2 HOH +1974 658 2 0.423800 11.366715 22.928095 6.669487 # 2 HOH +1975 659 1 -0.847600 39.134087 2.486962 43.122528 # 1 HOH +1976 659 2 0.423800 38.675949 1.640398 42.766850 # 2 HOH +1977 659 2 0.423800 39.593151 2.786511 42.321655 # 2 HOH +1978 660 1 -0.847600 34.931564 14.208401 14.642143 # 1 HOH +1979 660 2 0.423800 35.613255 14.020810 13.934264 # 2 HOH +1980 660 2 0.423800 34.421700 13.381153 14.627755 # 2 HOH +1981 661 1 -0.847600 22.537615 13.373177 11.869965 # 1 HOH +1982 661 2 0.423800 23.412169 13.873708 11.926172 # 2 HOH +1983 661 2 0.423800 22.739534 12.392209 12.148903 # 2 HOH +1984 662 1 -0.847600 12.384706 9.777568 22.514318 # 1 HOH +1985 662 2 0.423800 12.125826 9.196784 21.733597 # 2 HOH +1986 662 2 0.423800 13.406695 9.552425 22.807508 # 2 HOH +1987 663 1 -0.847600 20.326040 32.640114 29.259676 # 1 HOH +1988 663 2 0.423800 19.865948 32.002003 28.682419 # 2 HOH +1989 663 2 0.423800 21.210928 32.573296 29.178734 # 2 HOH +1990 664 1 -0.847600 31.586367 13.555393 5.440441 # 1 HOH +1991 664 2 0.423800 32.068142 12.724068 5.602224 # 2 HOH +1992 664 2 0.423800 31.079401 13.256624 4.602754 # 2 HOH +1993 665 1 -0.847600 16.708147 8.844905 14.211134 # 1 HOH +1994 665 2 0.423800 16.138210 8.135911 13.736530 # 2 HOH +1995 665 2 0.423800 16.236403 9.607323 13.839388 # 2 HOH +1996 666 1 -0.847600 12.958612 39.616329 6.619105 # 1 HOH +1997 666 2 0.423800 13.714341 40.009628 6.128322 # 2 HOH +1998 666 2 0.423800 13.362974 39.342300 7.490355 # 2 HOH +1999 667 1 -0.847600 30.944132 38.562641 5.603899 # 1 HOH +2000 667 2 0.423800 29.950726 38.715046 5.959929 # 2 HOH +2001 667 2 0.423800 31.379301 38.323689 6.515985 # 2 HOH +2002 668 1 -0.847600 16.177992 13.690245 34.351841 # 1 HOH +2003 668 2 0.423800 16.829668 14.475562 34.563602 # 2 HOH +2004 668 2 0.423800 15.891461 13.908339 33.428795 # 2 HOH +2005 669 1 -0.847600 7.448999 36.364944 2.992558 # 1 HOH +2006 669 2 0.423800 7.887056 36.223000 2.115428 # 2 HOH +2007 669 2 0.423800 8.298977 36.385685 3.570569 # 2 HOH +2008 670 1 -0.847600 2.342511 23.898836 36.214924 # 1 HOH +2009 670 2 0.423800 1.809009 24.677113 36.228424 # 2 HOH +2010 670 2 0.423800 2.550725 23.734249 35.239273 # 2 HOH +2011 671 1 -0.847600 21.996223 11.254069 2.744811 # 1 HOH +2012 671 2 0.423800 22.147284 11.745089 3.586511 # 2 HOH +2013 671 2 0.423800 21.009375 11.429067 2.648880 # 2 HOH +2014 672 1 -0.847600 17.782160 14.490541 28.901018 # 1 HOH +2015 672 2 0.423800 18.802834 14.491099 28.747967 # 2 HOH +2016 672 2 0.423800 17.499874 13.765093 28.231033 # 2 HOH +2017 673 1 -0.847600 13.317338 6.961159 3.573671 # 1 HOH +2018 673 2 0.423800 12.543339 6.435479 3.262537 # 2 HOH +2019 673 2 0.423800 12.866573 7.552007 4.232148 # 2 HOH +2020 674 1 -0.847600 3.590149 13.973223 4.147443 # 1 HOH +2021 674 2 0.423800 4.563793 14.146861 4.457913 # 2 HOH +2022 674 2 0.423800 3.493012 14.713771 3.545781 # 2 HOH +2023 675 1 -0.847600 9.416246 27.755253 26.691765 # 1 HOH +2024 675 2 0.423800 10.298456 27.567303 27.051449 # 2 HOH +2025 675 2 0.423800 8.739169 27.746752 27.473028 # 2 HOH +2026 676 1 -0.847600 25.603260 44.895428 8.747742 # 1 HOH +2027 676 2 0.423800 26.371088 44.498032 9.262899 # 2 HOH +2028 676 2 0.423800 24.872051 44.483433 9.124217 # 2 HOH +2029 677 1 -0.847600 20.622515 27.942827 15.353168 # 1 HOH +2030 677 2 0.423800 21.139040 27.687906 16.075800 # 2 HOH +2031 677 2 0.423800 21.307943 28.179901 14.672454 # 2 HOH +2032 678 1 -0.847600 23.111603 1.654945 24.802832 # 1 HOH +2033 678 2 0.423800 22.141447 1.988650 24.999443 # 2 HOH +2034 678 2 0.423800 23.205254 0.731040 25.359726 # 2 HOH +2035 679 1 -0.847600 25.639244 2.367905 4.773028 # 1 HOH +2036 679 2 0.423800 25.049994 1.988039 4.035521 # 2 HOH +2037 679 2 0.423800 25.118607 1.762837 5.458788 # 2 HOH +2038 680 1 -0.847600 22.629652 24.776537 19.073334 # 1 HOH +2039 680 2 0.423800 23.481030 24.804403 18.529160 # 2 HOH +2040 680 2 0.423800 22.568476 25.705313 19.519283 # 2 HOH +2041 681 1 -0.847600 35.444851 3.714663 13.861423 # 1 HOH +2042 681 2 0.423800 34.680920 3.325926 14.249804 # 2 HOH +2043 681 2 0.423800 36.174976 3.181082 14.126040 # 2 HOH +2044 682 1 -0.847600 26.054388 32.908752 24.296402 # 1 HOH +2045 682 2 0.423800 26.078630 33.866837 24.005274 # 2 HOH +2046 682 2 0.423800 27.066547 32.502182 24.435844 # 2 HOH +2047 683 1 -0.847600 34.768368 36.321255 8.158221 # 1 HOH +2048 683 2 0.423800 35.527538 36.796700 7.516869 # 2 HOH +2049 683 2 0.423800 34.641418 35.442467 7.707056 # 2 HOH +2050 684 1 -0.847600 0.609166 3.943339 32.207668 # 1 HOH +2051 684 2 0.423800 1.236416 4.619240 31.725578 # 2 HOH +2052 684 2 0.423800 0.784869 4.077007 33.226788 # 2 HOH +2053 685 1 -0.847600 18.020485 25.782921 12.498120 # 1 HOH +2054 685 2 0.423800 17.436045 25.993561 11.740889 # 2 HOH +2055 685 2 0.423800 18.399788 26.665277 12.689460 # 2 HOH +2056 686 1 -0.847600 42.342789 14.014091 13.870401 # 1 HOH +2057 686 2 0.423800 41.497601 13.572367 13.834198 # 2 HOH +2058 686 2 0.423800 42.386360 14.532594 14.673699 # 2 HOH +2059 687 1 -0.847600 13.572042 10.476205 3.662230 # 1 HOH +2060 687 2 0.423800 14.396712 10.179254 4.023717 # 2 HOH +2061 687 2 0.423800 12.982763 9.850431 4.124616 # 2 HOH +2062 688 1 -0.847600 2.805250 27.909979 20.359194 # 1 HOH +2063 688 2 0.423800 1.903859 28.132460 20.073778 # 2 HOH +2064 688 2 0.423800 2.809701 28.061665 21.472281 # 2 HOH +2065 689 1 -0.847600 13.927504 26.591431 31.209190 # 1 HOH +2066 689 2 0.423800 14.535281 26.670597 30.415674 # 2 HOH +2067 689 2 0.423800 14.177266 27.342058 31.815804 # 2 HOH +2068 690 1 -0.847600 24.776056 42.543999 12.123588 # 1 HOH +2069 690 2 0.423800 24.318960 42.312134 12.984733 # 2 HOH +2070 690 2 0.423800 25.617041 43.218102 12.409671 # 2 HOH +2071 691 1 -0.847600 10.395395 43.676487 28.939329 # 1 HOH +2072 691 2 0.423800 11.349529 43.420757 28.995277 # 2 HOH +2073 691 2 0.423800 10.268175 44.492649 29.470678 # 2 HOH +2074 692 1 -0.847600 14.898504 37.579990 12.535493 # 1 HOH +2075 692 2 0.423800 14.252710 38.107853 12.042302 # 2 HOH +2076 692 2 0.423800 15.698705 37.621365 11.871902 # 2 HOH +2077 693 1 -0.847600 32.972858 8.101486 31.787626 # 1 HOH +2078 693 2 0.423800 32.165298 7.745692 32.231140 # 2 HOH +2079 693 2 0.423800 32.999229 7.572987 30.899500 # 2 HOH +2080 694 1 -0.847600 4.092484 22.108185 22.416010 # 1 HOH +2081 694 2 0.423800 3.534044 22.841846 22.149490 # 2 HOH +2082 694 2 0.423800 4.834038 22.132225 21.742016 # 2 HOH +2083 695 1 -0.847600 34.842236 14.451339 1.907002 # 1 HOH +2084 695 2 0.423800 35.193150 14.620096 0.969639 # 2 HOH +2085 695 2 0.423800 35.208317 13.553564 2.079235 # 2 HOH +2086 696 1 -0.847600 42.222828 15.840112 1.599694 # 1 HOH +2087 696 2 0.423800 41.773533 16.557009 2.093410 # 2 HOH +2088 696 2 0.423800 42.541904 15.042071 2.156013 # 2 HOH +2089 697 1 -0.847600 19.409571 8.387944 7.184772 # 1 HOH +2090 697 2 0.423800 18.674021 8.068090 6.608915 # 2 HOH +2091 697 2 0.423800 19.012659 8.547064 8.078928 # 2 HOH +2092 698 1 -0.847600 41.767456 13.396161 4.131844 # 1 HOH +2093 698 2 0.423800 42.599052 13.835716 3.634191 # 2 HOH +2094 698 2 0.423800 41.314098 12.891296 3.335762 # 2 HOH +2095 699 1 -0.847600 29.521952 25.623962 15.909317 # 1 HOH +2096 699 2 0.423800 30.485977 25.243145 15.753174 # 2 HOH +2097 699 2 0.423800 29.612698 26.438835 16.532368 # 2 HOH +2098 700 1 -0.847600 23.157131 23.972153 31.847488 # 1 HOH +2099 700 2 0.423800 23.202593 23.230022 32.614285 # 2 HOH +2100 700 2 0.423800 23.176151 24.875759 32.369171 # 2 HOH +2101 701 1 -0.847600 1.466413 19.166006 37.958000 # 1 HOH +2102 701 2 0.423800 1.301547 19.875542 37.241619 # 2 HOH +2103 701 2 0.423800 1.816317 19.598722 38.890873 # 2 HOH +2104 702 1 -0.847600 6.237347 5.520223 33.737175 # 1 HOH +2105 702 2 0.423800 5.748845 6.281770 34.178230 # 2 HOH +2106 702 2 0.423800 5.806410 4.751348 34.075096 # 2 HOH +2107 703 1 -0.847600 31.629467 14.062232 28.479601 # 1 HOH +2108 703 2 0.423800 31.651968 14.628279 29.330490 # 2 HOH +2109 703 2 0.423800 31.599079 13.139897 28.760887 # 2 HOH +2110 704 1 -0.847600 10.901006 11.898817 12.146366 # 1 HOH +2111 704 2 0.423800 10.570589 11.144971 12.791644 # 2 HOH +2112 704 2 0.423800 11.198354 12.476882 12.945135 # 2 HOH +2113 705 1 -0.847600 20.620155 30.418207 9.256651 # 1 HOH +2114 705 2 0.423800 19.872541 30.507296 8.651887 # 2 HOH +2115 705 2 0.423800 20.241062 30.513304 10.271938 # 2 HOH +2116 706 1 -0.847600 23.654129 22.283878 9.989289 # 1 HOH +2117 706 2 0.423800 22.875961 21.741102 10.363976 # 2 HOH +2118 706 2 0.423800 24.351425 22.116728 10.685944 # 2 HOH +2119 707 1 -0.847600 27.933706 10.782273 33.021038 # 1 HOH +2120 707 2 0.423800 27.622898 10.402613 33.900890 # 2 HOH +2121 707 2 0.423800 28.021383 11.771507 33.223312 # 2 HOH +2122 708 1 -0.847600 5.441684 18.508780 16.325829 # 1 HOH +2123 708 2 0.423800 6.159341 18.881523 15.758139 # 2 HOH +2124 708 2 0.423800 5.543741 17.532494 16.056313 # 2 HOH +2125 709 1 -0.847600 26.375734 44.429237 13.323202 # 1 HOH +2126 709 2 0.423800 26.681793 45.353439 13.535319 # 2 HOH +2127 709 2 0.423800 26.073679 44.145653 14.247317 # 2 HOH +2128 710 1 -0.847600 14.913555 2.378941 5.624568 # 1 HOH +2129 710 2 0.423800 15.494452 1.701212 6.006835 # 2 HOH +2130 710 2 0.423800 14.674542 2.793154 6.383562 # 2 HOH +2131 711 1 -0.847600 37.188877 37.332905 38.733276 # 1 HOH +2132 711 2 0.423800 38.183018 37.424931 38.461617 # 2 HOH +2133 711 2 0.423800 36.884937 38.314541 38.734692 # 2 HOH +2134 712 1 -0.847600 16.859274 35.699669 19.932959 # 1 HOH +2135 712 2 0.423800 16.065720 35.495968 20.506296 # 2 HOH +2136 712 2 0.423800 16.985838 36.681984 19.888983 # 2 HOH +2137 713 1 -0.847600 7.481767 4.011669 17.373669 # 1 HOH +2138 713 2 0.423800 6.926060 3.872179 18.200834 # 2 HOH +2139 713 2 0.423800 8.316489 4.424922 17.642746 # 2 HOH +2140 714 1 -0.847600 34.684166 25.597660 16.732319 # 1 HOH +2141 714 2 0.423800 34.287106 25.091307 17.511780 # 2 HOH +2142 714 2 0.423800 34.342499 25.018547 15.980702 # 2 HOH +2143 715 1 -0.847600 41.690498 36.341919 33.196461 # 1 HOH +2144 715 2 0.423800 41.628338 35.493454 33.716404 # 2 HOH +2145 715 2 0.423800 40.674747 36.594460 33.054291 # 2 HOH +2146 716 1 -0.847600 15.417252 38.604847 8.129668 # 1 HOH +2147 716 2 0.423800 15.619075 38.577240 7.095238 # 2 HOH +2148 716 2 0.423800 15.777547 39.501060 8.421083 # 2 HOH +2149 717 1 -0.847600 36.890057 39.748295 19.090548 # 1 HOH +2150 717 2 0.423800 36.974262 40.643986 18.509390 # 2 HOH +2151 717 2 0.423800 36.131207 39.910191 19.784286 # 2 HOH +2152 718 1 -0.847600 10.622453 27.460445 16.541584 # 1 HOH +2153 718 2 0.423800 10.700174 27.242725 17.542009 # 2 HOH +2154 718 2 0.423800 10.442857 28.490538 16.528986 # 2 HOH +2155 719 1 -0.847600 6.399680 8.152190 8.868869 # 1 HOH +2156 719 2 0.423800 5.665254 8.911415 8.657913 # 2 HOH +2157 719 2 0.423800 7.027197 8.651453 9.521987 # 2 HOH +2158 720 1 -0.847600 3.955021 1.106243 35.899345 # 1 HOH +2159 720 2 0.423800 4.314116 0.559733 35.048077 # 2 HOH +2160 720 2 0.423800 3.277716 0.463644 36.386391 # 2 HOH +2161 721 1 -0.847600 4.017120 27.261641 35.160145 # 1 HOH +2162 721 2 0.423800 4.138609 26.535954 35.800903 # 2 HOH +2163 721 2 0.423800 4.498844 28.048477 35.494835 # 2 HOH +2164 722 1 -0.847600 20.984463 23.402172 22.452477 # 1 HOH +2165 722 2 0.423800 21.947372 23.103210 22.068718 # 2 HOH +2166 722 2 0.423800 20.674294 22.554743 22.909876 # 2 HOH +2167 723 1 -0.847600 11.799466 40.349953 18.348988 # 1 HOH +2168 723 2 0.423800 12.344400 39.668232 17.783426 # 2 HOH +2169 723 2 0.423800 10.947556 39.789680 18.703161 # 2 HOH +2170 724 1 -0.847600 34.373707 30.560434 14.488158 # 1 HOH +2171 724 2 0.423800 35.389671 30.755428 14.772276 # 2 HOH +2172 724 2 0.423800 34.475983 30.122562 13.664489 # 2 HOH +2173 725 1 -0.847600 7.317826 32.086636 12.859308 # 1 HOH +2174 725 2 0.423800 8.305427 31.770178 12.973403 # 2 HOH +2175 725 2 0.423800 7.334721 32.636124 12.072994 # 2 HOH +2176 726 1 -0.847600 6.274984 10.269038 22.459768 # 1 HOH +2177 726 2 0.423800 6.251166 10.689933 23.399046 # 2 HOH +2178 726 2 0.423800 6.825665 9.474648 22.404625 # 2 HOH +2179 727 1 -0.847600 28.934044 0.685440 37.265816 # 1 HOH +2180 727 2 0.423800 29.635363 1.441703 37.301094 # 2 HOH +2181 727 2 0.423800 28.736290 0.392491 38.200565 # 2 HOH +2182 728 1 -0.847600 26.506578 24.247528 31.469883 # 1 HOH +2183 728 2 0.423800 26.129349 24.531950 30.559732 # 2 HOH +2184 728 2 0.423800 26.060146 24.843245 32.124485 # 2 HOH +2185 729 1 -0.847600 1.556069 6.124473 12.232551 # 1 HOH +2186 729 2 0.423800 1.004765 5.645033 11.536589 # 2 HOH +2187 729 2 0.423800 2.386764 6.210652 11.676297 # 2 HOH +2188 730 1 -0.847600 29.506660 29.000553 36.331348 # 1 HOH +2189 730 2 0.423800 29.714640 28.757275 35.455742 # 2 HOH +2190 730 2 0.423800 30.280727 28.609369 36.822765 # 2 HOH +2191 731 1 -0.847600 2.350861 0.635334 32.630032 # 1 HOH +2192 731 2 0.423800 1.692501 0.908479 31.950113 # 2 HOH +2193 731 2 0.423800 3.151291 1.043069 32.308880 # 2 HOH +2194 732 1 -0.847600 23.162149 43.607571 29.731863 # 1 HOH +2195 732 2 0.423800 23.264679 43.450844 30.717588 # 2 HOH +2196 732 2 0.423800 23.155024 44.627796 29.744478 # 2 HOH +2197 733 1 -0.847600 1.652317 39.984783 24.816116 # 1 HOH +2198 733 2 0.423800 0.877950 39.401176 24.521782 # 2 HOH +2199 733 2 0.423800 2.425436 39.403511 24.457451 # 2 HOH +2200 734 1 -0.847600 13.052050 14.859328 40.896240 # 1 HOH +2201 734 2 0.423800 13.077197 14.623133 39.976555 # 2 HOH +2202 734 2 0.423800 13.151982 15.828376 40.887913 # 2 HOH +2203 735 1 -0.847600 34.672050 26.433313 24.281540 # 1 HOH +2204 735 2 0.423800 34.096809 26.124355 25.015020 # 2 HOH +2205 735 2 0.423800 34.508911 25.850220 23.587355 # 2 HOH +2206 736 1 -0.847600 16.146219 33.989460 27.820574 # 1 HOH +2207 736 2 0.423800 15.685713 34.408031 27.061468 # 2 HOH +2208 736 2 0.423800 16.758865 33.325352 27.446865 # 2 HOH +2209 737 1 -0.847600 1.723896 27.958683 23.224100 # 1 HOH +2210 737 2 0.423800 2.034557 26.981407 23.313330 # 2 HOH +2211 737 2 0.423800 2.585480 28.539326 23.516716 # 2 HOH +2212 738 1 -0.847600 7.385046 43.100216 9.476983 # 1 HOH +2213 738 2 0.423800 6.508070 42.863186 9.976042 # 2 HOH +2214 738 2 0.423800 8.147573 42.675804 9.985531 # 2 HOH +2215 739 1 -0.847600 39.502033 3.301683 24.346748 # 1 HOH +2216 739 2 0.423800 39.822189 2.343334 24.544706 # 2 HOH +2217 739 2 0.423800 40.091702 3.455505 23.635464 # 2 HOH +2218 740 1 -0.847600 40.715115 18.803411 22.644196 # 1 HOH +2219 740 2 0.423800 40.303623 17.854139 22.343134 # 2 HOH +2220 740 2 0.423800 40.065746 19.400713 23.156347 # 2 HOH +2221 741 1 -0.847600 38.819016 30.631001 1.858026 # 1 HOH +2222 741 2 0.423800 38.746933 30.992229 2.863406 # 2 HOH +2223 741 2 0.423800 39.783058 30.687155 1.671618 # 2 HOH +2224 742 1 -0.847600 11.525157 21.871986 41.772709 # 1 HOH +2225 742 2 0.423800 11.277290 20.927303 41.610027 # 2 HOH +2226 742 2 0.423800 11.216525 22.341553 40.969406 # 2 HOH +2227 743 1 -0.847600 42.698570 8.289182 32.752708 # 1 HOH +2228 743 2 0.423800 41.912498 7.691001 32.869835 # 2 HOH +2229 743 2 0.423800 42.632530 8.899395 33.670635 # 2 HOH +2230 744 1 -0.847600 22.403025 16.541454 38.707623 # 1 HOH +2231 744 2 0.423800 22.996237 15.780227 38.547970 # 2 HOH +2232 744 2 0.423800 23.048388 17.018616 39.267300 # 2 HOH +2233 745 1 -0.847600 42.568951 29.619181 39.682720 # 1 HOH +2234 745 2 0.423800 42.805027 29.708124 40.666382 # 2 HOH +2235 745 2 0.423800 41.800545 28.983416 39.645142 # 2 HOH +2236 746 1 -0.847600 33.777676 9.221643 21.997686 # 1 HOH +2237 746 2 0.423800 33.653481 10.219378 22.075354 # 2 HOH +2238 746 2 0.423800 34.581688 9.086367 21.564365 # 2 HOH +2239 747 1 -0.847600 26.217960 30.829134 28.345446 # 1 HOH +2240 747 2 0.423800 26.598764 30.970406 29.333845 # 2 HOH +2241 747 2 0.423800 26.267179 29.767675 28.169966 # 2 HOH +2242 748 1 -0.847600 18.321871 18.150763 33.786545 # 1 HOH +2243 748 2 0.423800 18.756243 17.347208 33.891926 # 2 HOH +2244 748 2 0.423800 18.464756 18.375622 32.794159 # 2 HOH +2245 749 1 -0.847600 24.960690 36.239632 21.890491 # 1 HOH +2246 749 2 0.423800 24.099186 36.604198 22.314169 # 2 HOH +2247 749 2 0.423800 25.499039 36.141731 22.722137 # 2 HOH +2248 750 1 -0.847600 10.710477 35.320431 25.693241 # 1 HOH +2249 750 2 0.423800 11.066691 36.052505 26.284925 # 2 HOH +2250 750 2 0.423800 10.864770 34.427505 26.160246 # 2 HOH +2251 751 1 -0.847600 0.019406 0.557766 41.693920 # 1 HOH +2252 751 2 0.423800 0.090567 1.517696 41.333519 # 2 HOH +2253 751 2 0.423800 -0.949738 0.279741 41.530113 # 2 HOH +2254 752 1 -0.847600 37.109203 25.123226 1.215588 # 1 HOH +2255 752 2 0.423800 36.390553 25.830875 1.417101 # 2 HOH +2256 752 2 0.423800 37.221687 24.978794 0.139062 # 2 HOH +2257 753 1 -0.847600 14.892012 19.120249 16.437109 # 1 HOH +2258 753 2 0.423800 15.559378 18.731630 15.787121 # 2 HOH +2259 753 2 0.423800 15.374572 19.824457 16.883459 # 2 HOH +2260 754 1 -0.847600 2.949921 8.492694 42.264801 # 1 HOH +2261 754 2 0.423800 3.890944 8.576327 42.158447 # 2 HOH +2262 754 2 0.423800 2.924323 7.536345 42.627151 # 2 HOH +2263 755 1 -0.847600 29.200661 7.535655 38.133060 # 1 HOH +2264 755 2 0.423800 28.234072 7.283376 37.975945 # 2 HOH +2265 755 2 0.423800 29.566671 6.699143 38.554821 # 2 HOH +2266 756 1 -0.847600 28.822081 19.937145 8.147751 # 1 HOH +2267 756 2 0.423800 29.419739 19.430666 7.507095 # 2 HOH +2268 756 2 0.423800 29.471781 20.093319 8.849413 # 2 HOH +2269 757 1 -0.847600 10.495815 1.789621 40.352432 # 1 HOH +2270 757 2 0.423800 10.558841 2.364292 39.628178 # 2 HOH +2271 757 2 0.423800 10.443729 0.915838 39.875202 # 2 HOH +2272 758 1 -0.847600 2.579257 36.735550 20.825514 # 1 HOH +2273 758 2 0.423800 2.636895 36.365654 19.914776 # 2 HOH +2274 758 2 0.423800 2.929249 37.699474 20.690298 # 2 HOH +2275 759 1 -0.847600 3.272641 29.795649 24.670456 # 1 HOH +2276 759 2 0.423800 3.135575 30.215591 25.606066 # 2 HOH +2277 759 2 0.423800 3.258071 30.462164 23.998316 # 2 HOH +2278 760 1 -0.847600 17.435781 22.224356 23.132494 # 1 HOH +2279 760 2 0.423800 18.296242 21.688459 23.321379 # 2 HOH +2280 760 2 0.423800 16.991570 21.676962 22.352730 # 2 HOH +2281 761 1 -0.847600 2.939087 22.946466 33.391121 # 1 HOH +2282 761 2 0.423800 3.278420 23.549669 32.661884 # 2 HOH +2283 761 2 0.423800 2.057999 22.567200 33.179832 # 2 HOH +2284 762 1 -0.847600 21.970089 36.752586 34.773781 # 1 HOH +2285 762 2 0.423800 22.518358 36.140987 34.217148 # 2 HOH +2286 762 2 0.423800 20.981358 36.753288 34.277882 # 2 HOH +2287 763 1 -0.847600 40.445400 39.974102 40.305088 # 1 HOH +2288 763 2 0.423800 41.407635 40.068626 40.097614 # 2 HOH +2289 763 2 0.423800 40.107086 39.633259 39.390320 # 2 HOH +2290 764 1 -0.847600 18.409113 23.458012 29.434177 # 1 HOH +2291 764 2 0.423800 17.921885 22.683867 29.214363 # 2 HOH +2292 764 2 0.423800 19.403172 23.191576 29.741320 # 2 HOH +2293 765 1 -0.847600 25.701460 22.961916 39.129086 # 1 HOH +2294 765 2 0.423800 25.601137 22.515329 40.022518 # 2 HOH +2295 765 2 0.423800 26.575010 22.737534 38.819195 # 2 HOH +2296 766 1 -0.847600 38.639557 38.201233 41.583969 # 1 HOH +2297 766 2 0.423800 38.477112 37.907001 40.686832 # 2 HOH +2298 766 2 0.423800 39.568245 38.605709 41.626732 # 2 HOH +2299 767 1 -0.847600 19.464207 12.532351 25.655743 # 1 HOH +2300 767 2 0.423800 20.220396 12.406207 26.290474 # 2 HOH +2301 767 2 0.423800 19.346611 13.549251 25.482893 # 2 HOH +2302 768 1 -0.847600 28.664667 34.311928 28.978600 # 1 HOH +2303 768 2 0.423800 27.628187 34.437527 28.834600 # 2 HOH +2304 768 2 0.423800 28.844458 34.517632 29.946791 # 2 HOH +2305 769 1 -0.847600 27.029352 16.455183 37.931908 # 1 HOH +2306 769 2 0.423800 28.000765 16.471998 38.074028 # 2 HOH +2307 769 2 0.423800 26.728600 15.634150 38.349689 # 2 HOH +2308 770 1 -0.847600 30.013071 19.937325 37.089500 # 1 HOH +2309 770 2 0.423800 31.007286 20.005404 37.304855 # 2 HOH +2310 770 2 0.423800 29.884583 20.605312 36.393608 # 2 HOH +2311 771 1 -0.847600 36.795300 43.680408 2.548897 # 1 HOH +2312 771 2 0.423800 36.263157 42.815308 2.673653 # 2 HOH +2313 771 2 0.423800 37.640018 43.488380 2.133262 # 2 HOH +2314 772 1 -0.847600 22.329634 37.949841 5.099871 # 1 HOH +2315 772 2 0.423800 22.110689 37.091854 4.587674 # 2 HOH +2316 772 2 0.423800 22.458860 38.717064 4.366634 # 2 HOH +2317 773 1 -0.847600 18.635843 33.672474 16.569279 # 1 HOH +2318 773 2 0.423800 18.378157 33.005486 15.879868 # 2 HOH +2319 773 2 0.423800 18.088579 34.537884 16.388773 # 2 HOH +2320 774 1 -0.847600 4.619803 42.549389 10.646386 # 1 HOH +2321 774 2 0.423800 4.298196 41.590179 10.339127 # 2 HOH +2322 774 2 0.423800 4.713525 42.517506 11.665093 # 2 HOH +2323 775 1 -0.847600 22.091642 43.849548 7.081938 # 1 HOH +2324 775 2 0.423800 22.132711 43.006310 6.508430 # 2 HOH +2325 775 2 0.423800 22.335859 43.407024 8.029543 # 2 HOH +2326 776 1 -0.847600 18.250360 28.829548 9.091273 # 1 HOH +2327 776 2 0.423800 17.584312 28.277872 9.385250 # 2 HOH +2328 776 2 0.423800 17.852888 29.785727 9.003574 # 2 HOH +2329 777 1 -0.847600 10.007216 5.649022 9.471892 # 1 HOH +2330 777 2 0.423800 10.521744 6.429300 9.742762 # 2 HOH +2331 777 2 0.423800 9.437947 6.009192 8.667343 # 2 HOH +2332 778 1 -0.847600 36.698860 31.775599 6.940125 # 1 HOH +2333 778 2 0.423800 37.706108 31.911945 7.167095 # 2 HOH +2334 778 2 0.423800 36.244099 32.141331 7.759282 # 2 HOH +2335 779 1 -0.847600 29.347799 27.483965 22.945381 # 1 HOH +2336 779 2 0.423800 29.077141 27.215620 23.795614 # 2 HOH +2337 779 2 0.423800 29.121252 28.399984 23.009798 # 2 HOH +2338 780 1 -0.847600 17.237757 15.677199 18.084576 # 1 HOH +2339 780 2 0.423800 17.064871 14.745293 17.788382 # 2 HOH +2340 780 2 0.423800 18.068441 16.027475 17.664940 # 2 HOH +2341 781 1 -0.847600 37.518261 8.120925 9.983253 # 1 HOH +2342 781 2 0.423800 37.167400 7.222137 10.147687 # 2 HOH +2343 781 2 0.423800 37.761425 8.501856 10.829595 # 2 HOH +2344 782 1 -0.847600 3.158524 31.946995 41.823856 # 1 HOH +2345 782 2 0.423800 4.125337 31.906860 41.832706 # 2 HOH +2346 782 2 0.423800 2.884374 31.476370 41.007549 # 2 HOH +2347 783 1 -0.847600 1.231794 30.787970 10.733709 # 1 HOH +2348 783 2 0.423800 1.686812 31.096167 11.595739 # 2 HOH +2349 783 2 0.423800 0.511691 30.292423 11.286633 # 2 HOH +2350 784 1 -0.847600 36.985996 10.937354 30.243835 # 1 HOH +2351 784 2 0.423800 36.224899 10.618610 29.697460 # 2 HOH +2352 784 2 0.423800 37.010830 10.701868 31.204903 # 2 HOH +2353 785 1 -0.847600 2.449301 32.982475 28.797594 # 1 HOH +2354 785 2 0.423800 1.680860 33.176479 29.492321 # 2 HOH +2355 785 2 0.423800 3.179364 32.499870 29.369917 # 2 HOH +2356 786 1 -0.847600 32.555489 17.663929 26.635015 # 1 HOH +2357 786 2 0.423800 33.323151 17.495760 27.194675 # 2 HOH +2358 786 2 0.423800 32.186741 18.385717 27.170561 # 2 HOH +2359 787 1 -0.847600 3.770787 27.550831 16.936821 # 1 HOH +2360 787 2 0.423800 3.153913 28.294931 17.143265 # 2 HOH +2361 787 2 0.423800 4.346756 27.893566 16.256643 # 2 HOH +2362 788 1 -0.847600 19.795568 26.905432 28.570381 # 1 HOH +2363 788 2 0.423800 19.515293 27.213978 29.477827 # 2 HOH +2364 788 2 0.423800 20.565189 27.437054 28.173195 # 2 HOH +2365 789 1 -0.847600 34.470947 25.523058 37.344582 # 1 HOH +2366 789 2 0.423800 34.285046 25.908466 38.273060 # 2 HOH +2367 789 2 0.423800 33.708923 24.850330 37.169701 # 2 HOH +2368 790 1 -0.847600 13.746577 5.652989 31.856728 # 1 HOH +2369 790 2 0.423800 14.002990 4.683837 31.796616 # 2 HOH +2370 790 2 0.423800 14.397874 6.193860 32.346218 # 2 HOH +2371 791 1 -0.847600 14.979641 13.240167 16.200716 # 1 HOH +2372 791 2 0.423800 14.501120 12.556605 15.580051 # 2 HOH +2373 791 2 0.423800 14.288065 13.274827 17.037697 # 2 HOH +2374 792 1 -0.847600 9.340447 19.647112 22.030125 # 1 HOH +2375 792 2 0.423800 8.379017 19.552361 21.778229 # 2 HOH +2376 792 2 0.423800 9.709231 18.730719 22.094305 # 2 HOH +2377 793 1 -0.847600 32.872765 35.779320 13.902632 # 1 HOH +2378 793 2 0.423800 31.916727 35.763100 13.653946 # 2 HOH +2379 793 2 0.423800 33.210651 34.938114 13.479346 # 2 HOH +2380 794 1 -0.847600 30.786137 10.785295 28.902479 # 1 HOH +2381 794 2 0.423800 31.762186 10.639502 28.921394 # 2 HOH +2382 794 2 0.423800 30.617085 10.649020 29.852154 # 2 HOH +2383 795 1 -0.847600 36.377033 12.735270 10.059993 # 1 HOH +2384 795 2 0.423800 35.801208 12.093603 10.615691 # 2 HOH +2385 795 2 0.423800 37.291016 12.243879 10.217722 # 2 HOH +2386 796 1 -0.847600 31.668911 33.292694 39.832466 # 1 HOH +2387 796 2 0.423800 31.890471 33.935566 39.114033 # 2 HOH +2388 796 2 0.423800 31.977095 32.328037 39.486343 # 2 HOH +2389 797 1 -0.847600 22.196918 41.741169 41.674335 # 1 HOH +2390 797 2 0.423800 22.494020 42.089092 40.818829 # 2 HOH +2391 797 2 0.423800 22.685608 42.322845 42.361469 # 2 HOH +2392 798 1 -0.847600 6.930173 25.462431 19.977795 # 1 HOH +2393 798 2 0.423800 5.996713 25.748953 19.891975 # 2 HOH +2394 798 2 0.423800 6.954379 25.085138 20.892271 # 2 HOH +2395 799 1 -0.847600 39.214962 21.359980 36.347252 # 1 HOH +2396 799 2 0.423800 39.432579 22.206758 36.700302 # 2 HOH +2397 799 2 0.423800 39.624123 20.819990 37.165615 # 2 HOH +2398 800 1 -0.847600 4.587334 9.976214 16.142065 # 1 HOH +2399 800 2 0.423800 4.870350 10.187791 17.124855 # 2 HOH +2400 800 2 0.423800 3.993780 10.680872 15.947889 # 2 HOH +2401 801 1 -0.847600 18.442259 14.881000 24.655857 # 1 HOH +2402 801 2 0.423800 18.750425 15.606748 24.076290 # 2 HOH +2403 801 2 0.423800 17.450050 15.044132 24.577671 # 2 HOH +2404 802 1 -0.847600 2.503443 41.688526 18.879807 # 1 HOH +2405 802 2 0.423800 2.465053 42.233444 19.771158 # 2 HOH +2406 802 2 0.423800 1.643342 41.886517 18.346466 # 2 HOH +2407 803 1 -0.847600 32.238068 41.771954 20.750568 # 1 HOH +2408 803 2 0.423800 32.379593 42.684361 20.389212 # 2 HOH +2409 803 2 0.423800 31.464478 41.426243 20.162394 # 2 HOH +2410 804 1 -0.847600 16.879007 23.610302 36.719311 # 1 HOH +2411 804 2 0.423800 16.947973 22.634838 36.394588 # 2 HOH +2412 804 2 0.423800 16.050690 23.662004 37.355965 # 2 HOH +2413 805 1 -0.847600 15.732854 7.153760 32.858162 # 1 HOH +2414 805 2 0.423800 15.812809 7.920664 33.544838 # 2 HOH +2415 805 2 0.423800 15.932672 7.618293 32.072960 # 2 HOH +2416 806 1 -0.847600 33.334610 2.625579 31.241409 # 1 HOH +2417 806 2 0.423800 33.477936 3.083828 30.290937 # 2 HOH +2418 806 2 0.423800 33.470989 1.677791 31.108704 # 2 HOH +2419 807 1 -0.847600 9.254023 13.232677 7.484310 # 1 HOH +2420 807 2 0.423800 10.119662 13.051556 7.754530 # 2 HOH +2421 807 2 0.423800 8.752505 13.335139 8.359969 # 2 HOH +2422 808 1 -0.847600 10.778195 8.793028 7.501291 # 1 HOH +2423 808 2 0.423800 10.891763 8.973993 8.448811 # 2 HOH +2424 808 2 0.423800 9.797465 9.035865 7.321537 # 2 HOH +2425 809 1 -0.847600 -0.533163 33.901218 38.649632 # 1 HOH +2426 809 2 0.423800 0.248551 33.441250 39.062790 # 2 HOH +2427 809 2 0.423800 -0.302769 34.900417 38.697872 # 2 HOH +2428 810 1 -0.847600 2.807187 20.889164 30.427986 # 1 HOH +2429 810 2 0.423800 3.444614 20.957796 29.656286 # 2 HOH +2430 810 2 0.423800 1.983702 21.420145 30.158186 # 2 HOH +2431 811 1 -0.847600 3.565955 19.397444 10.204861 # 1 HOH +2432 811 2 0.423800 2.635943 19.866995 10.084249 # 2 HOH +2433 811 2 0.423800 3.844971 19.430349 11.238271 # 2 HOH +2434 812 1 -0.847600 30.472317 28.895920 12.946342 # 1 HOH +2435 812 2 0.423800 29.953886 29.781672 13.050235 # 2 HOH +2436 812 2 0.423800 30.969042 28.884918 13.782761 # 2 HOH +2437 813 1 -0.847600 40.057106 28.527090 12.180256 # 1 HOH +2438 813 2 0.423800 40.785519 29.199490 12.561082 # 2 HOH +2439 813 2 0.423800 40.567554 27.886515 11.705839 # 2 HOH +2440 814 1 -0.847600 35.628609 36.598740 34.652382 # 1 HOH +2441 814 2 0.423800 35.357502 37.100090 35.467579 # 2 HOH +2442 814 2 0.423800 36.238895 37.128845 34.051682 # 2 HOH +2443 815 1 -0.847600 8.941440 32.626053 16.882788 # 1 HOH +2444 815 2 0.423800 9.138517 33.364758 17.602476 # 2 HOH +2445 815 2 0.423800 7.949681 32.699440 16.566206 # 2 HOH +2446 816 1 -0.847600 15.901467 11.354618 6.974839 # 1 HOH +2447 816 2 0.423800 16.186327 11.185235 6.077490 # 2 HOH +2448 816 2 0.423800 16.442305 12.193700 7.200099 # 2 HOH +2449 817 1 -0.847600 29.433117 2.505342 27.866898 # 1 HOH +2450 817 2 0.423800 29.694973 3.408948 27.628178 # 2 HOH +2451 817 2 0.423800 29.480042 2.353197 28.854685 # 2 HOH +2452 818 1 -0.847600 40.553391 13.773417 6.591856 # 1 HOH +2453 818 2 0.423800 40.519127 12.816647 6.840490 # 2 HOH +2454 818 2 0.423800 40.667698 13.701011 5.570300 # 2 HOH +2455 819 1 -0.847600 35.643158 10.298812 0.008030 # 1 HOH +2456 819 2 0.423800 35.822788 9.736437 0.936094 # 2 HOH +2457 819 2 0.423800 35.603241 11.299106 0.341640 # 2 HOH +2458 820 1 -0.847600 24.811275 8.476373 16.683180 # 1 HOH +2459 820 2 0.423800 25.225098 7.971409 17.417604 # 2 HOH +2460 820 2 0.423800 25.408575 8.350450 15.896867 # 2 HOH +2461 821 1 -0.847600 26.654673 21.521982 31.272778 # 1 HOH +2462 821 2 0.423800 26.886374 22.562864 31.602814 # 2 HOH +2463 821 2 0.423800 26.241814 21.719509 30.289450 # 2 HOH +2464 822 1 -0.847600 11.453148 10.545848 29.970078 # 1 HOH +2465 822 2 0.423800 11.621155 9.758863 29.397039 # 2 HOH +2466 822 2 0.423800 10.866524 10.089747 30.648661 # 2 HOH +2467 823 1 -0.847600 20.109533 4.257887 33.371902 # 1 HOH +2468 823 2 0.423800 20.265469 5.282480 33.313007 # 2 HOH +2469 823 2 0.423800 19.121281 4.082630 33.556320 # 2 HOH +2470 824 1 -0.847600 30.369593 8.779762 11.784387 # 1 HOH +2471 824 2 0.423800 29.987814 7.991209 11.220566 # 2 HOH +2472 824 2 0.423800 29.674488 9.455759 11.744792 # 2 HOH +2473 825 1 -0.847600 26.593601 0.097507 33.084934 # 1 HOH +2474 825 2 0.423800 26.497705 1.027655 32.753036 # 2 HOH +2475 825 2 0.423800 27.413847 -0.040031 33.729549 # 2 HOH +2476 826 1 -0.847600 38.506355 43.311508 9.687065 # 1 HOH +2477 826 2 0.423800 39.049736 43.001305 10.532631 # 2 HOH +2478 826 2 0.423800 37.877632 42.422878 9.583332 # 2 HOH +2479 827 1 -0.847600 35.843857 7.438047 34.977917 # 1 HOH +2480 827 2 0.423800 36.061996 7.964135 34.178864 # 2 HOH +2481 827 2 0.423800 35.336544 6.554933 34.664433 # 2 HOH +2482 828 1 -0.847600 23.130854 41.116348 17.280096 # 1 HOH +2483 828 2 0.423800 22.598507 41.718937 17.877794 # 2 HOH +2484 828 2 0.423800 23.973455 40.815029 17.805670 # 2 HOH +2485 829 1 -0.847600 32.127106 16.338112 37.341805 # 1 HOH +2486 829 2 0.423800 32.039474 15.331300 37.633301 # 2 HOH +2487 829 2 0.423800 31.413450 16.846506 37.790257 # 2 HOH +2488 830 1 -0.847600 5.635525 11.583197 18.277367 # 1 HOH +2489 830 2 0.423800 6.108102 10.741650 18.395882 # 2 HOH +2490 830 2 0.423800 5.117397 11.788546 19.123600 # 2 HOH +2491 831 1 -0.847600 36.770260 38.918068 27.587904 # 1 HOH +2492 831 2 0.423800 36.147591 38.221283 27.309332 # 2 HOH +2493 831 2 0.423800 37.685070 38.464939 27.769012 # 2 HOH +2494 832 1 -0.847600 3.122088 32.000839 7.933800 # 1 HOH +2495 832 2 0.423800 3.667381 31.588400 8.744729 # 2 HOH +2496 832 2 0.423800 3.146025 33.043465 8.021226 # 2 HOH +2497 833 1 -0.847600 14.915321 24.264891 4.516813 # 1 HOH +2498 833 2 0.423800 14.413379 23.554274 5.186688 # 2 HOH +2499 833 2 0.423800 15.042818 23.703354 3.682207 # 2 HOH +2500 834 1 -0.847600 19.295412 1.665889 4.352323 # 1 HOH +2501 834 2 0.423800 19.218914 2.579352 4.755986 # 2 HOH +2502 834 2 0.423800 18.905201 1.713207 3.366264 # 2 HOH +2503 835 1 -0.847600 27.053083 13.784517 32.662952 # 1 HOH +2504 835 2 0.423800 26.594259 14.713369 32.689476 # 2 HOH +2505 835 2 0.423800 27.594353 13.764433 33.492619 # 2 HOH +2506 836 1 -0.847600 23.801380 7.634665 10.459598 # 1 HOH +2507 836 2 0.423800 23.475056 6.942101 9.746347 # 2 HOH +2508 836 2 0.423800 24.269281 7.058904 11.085387 # 2 HOH +2509 837 1 -0.847600 36.848694 8.142677 27.390259 # 1 HOH +2510 837 2 0.423800 36.860897 7.729647 28.367107 # 2 HOH +2511 837 2 0.423800 37.797024 8.585326 27.284687 # 2 HOH +2512 838 1 -0.847600 0.743364 42.885139 17.072412 # 1 HOH +2513 838 2 0.423800 1.477900 43.561123 17.083805 # 2 HOH +2514 838 2 0.423800 0.873832 42.268402 16.314650 # 2 HOH +2515 839 1 -0.847600 19.441679 24.471849 37.264591 # 1 HOH +2516 839 2 0.423800 20.047632 24.428474 36.492123 # 2 HOH +2517 839 2 0.423800 18.498825 24.328100 36.976723 # 2 HOH +2518 840 1 -0.847600 29.304222 38.116657 37.173210 # 1 HOH +2519 840 2 0.423800 29.118893 38.954643 37.731060 # 2 HOH +2520 840 2 0.423800 28.654894 37.431789 37.428886 # 2 HOH +2521 841 1 -0.847600 39.719891 44.096043 31.695824 # 1 HOH +2522 841 2 0.423800 39.615829 45.109360 31.731760 # 2 HOH +2523 841 2 0.423800 38.808468 43.772255 31.920250 # 2 HOH +2524 842 1 -0.847600 18.902985 6.941789 14.305406 # 1 HOH +2525 842 2 0.423800 19.357063 7.257060 15.168262 # 2 HOH +2526 842 2 0.423800 18.284515 7.640138 14.046247 # 2 HOH +2527 843 1 -0.847600 22.497845 22.733927 4.715770 # 1 HOH +2528 843 2 0.423800 21.606043 22.679876 4.165884 # 2 HOH +2529 843 2 0.423800 22.765020 21.752604 4.842183 # 2 HOH +2530 844 1 -0.847600 5.071899 25.175570 27.019173 # 1 HOH +2531 844 2 0.423800 4.631238 24.607943 26.343811 # 2 HOH +2532 844 2 0.423800 4.415687 25.724180 27.501961 # 2 HOH +2533 845 1 -0.847600 41.202240 20.598543 26.249407 # 1 HOH +2534 845 2 0.423800 41.944572 19.960939 26.503284 # 2 HOH +2535 845 2 0.423800 40.870842 20.902773 27.202501 # 2 HOH +2536 846 1 -0.847600 4.958722 11.846541 1.280525 # 1 HOH +2537 846 2 0.423800 5.171579 11.371068 2.099737 # 2 HOH +2538 846 2 0.423800 5.876113 11.826661 0.732125 # 2 HOH +2539 847 1 -0.847600 3.197731 5.402256 10.207759 # 1 HOH +2540 847 2 0.423800 4.218801 5.226424 9.894197 # 2 HOH +2541 847 2 0.423800 2.721788 5.256167 9.404506 # 2 HOH +2542 848 1 -0.847600 3.799784 16.082500 24.363998 # 1 HOH +2543 848 2 0.423800 2.843474 15.822099 24.203388 # 2 HOH +2544 848 2 0.423800 4.346393 15.404150 23.941231 # 2 HOH +2545 849 1 -0.847600 15.387981 43.170677 2.924665 # 1 HOH +2546 849 2 0.423800 14.829335 42.343708 3.150233 # 2 HOH +2547 849 2 0.423800 15.626314 43.471867 3.824173 # 2 HOH +2548 850 1 -0.847600 10.592165 28.365343 8.513724 # 1 HOH +2549 850 2 0.423800 11.204658 28.037340 7.759384 # 2 HOH +2550 850 2 0.423800 10.250002 27.505934 8.966366 # 2 HOH +2551 851 1 -0.847600 12.420553 19.430708 2.999158 # 1 HOH +2552 851 2 0.423800 12.268622 18.919548 3.914437 # 2 HOH +2553 851 2 0.423800 13.333716 19.091761 2.549625 # 2 HOH +2554 852 1 -0.847600 10.088566 39.800304 8.536273 # 1 HOH +2555 852 2 0.423800 10.581253 40.727562 8.318997 # 2 HOH +2556 852 2 0.423800 10.804020 39.084133 8.417519 # 2 HOH +2557 853 1 -0.847600 27.545156 17.317282 29.087831 # 1 HOH +2558 853 2 0.423800 28.091370 18.171833 28.819208 # 2 HOH +2559 853 2 0.423800 27.798029 16.481260 28.474144 # 2 HOH +2560 854 1 -0.847600 42.891762 17.574312 8.486549 # 1 HOH +2561 854 2 0.423800 42.853737 17.141302 7.552997 # 2 HOH +2562 854 2 0.423800 42.101730 17.125071 9.074952 # 2 HOH +2563 855 1 -0.847600 36.235786 42.056236 32.408455 # 1 HOH +2564 855 2 0.423800 36.366982 42.172691 31.357445 # 2 HOH +2565 855 2 0.423800 35.323967 41.684444 32.475872 # 2 HOH +2566 856 1 -0.847600 16.921812 21.165003 32.820236 # 1 HOH +2567 856 2 0.423800 16.668562 22.072603 32.542561 # 2 HOH +2568 856 2 0.423800 17.739902 20.974674 32.300880 # 2 HOH +2569 857 1 -0.847600 6.082574 41.373234 35.411594 # 1 HOH +2570 857 2 0.423800 7.041753 41.769695 35.551414 # 2 HOH +2571 857 2 0.423800 5.717821 41.302784 36.383007 # 2 HOH +2572 858 1 -0.847600 4.963921 2.992955 3.156716 # 1 HOH +2573 858 2 0.423800 5.654058 3.564662 3.656785 # 2 HOH +2574 858 2 0.423800 5.053659 3.232554 2.206169 # 2 HOH +2575 859 1 -0.847600 31.661726 23.472361 32.414837 # 1 HOH +2576 859 2 0.423800 31.389938 23.482100 33.362068 # 2 HOH +2577 859 2 0.423800 30.851543 23.528078 31.854931 # 2 HOH +2578 860 1 -0.847600 7.196453 32.641605 24.656258 # 1 HOH +2579 860 2 0.423800 7.781146 31.866735 24.781061 # 2 HOH +2580 860 2 0.423800 6.272316 32.343662 24.858862 # 2 HOH +2581 861 1 -0.847600 42.232906 5.705404 24.175385 # 1 HOH +2582 861 2 0.423800 42.563850 4.958107 23.654915 # 2 HOH +2583 861 2 0.423800 42.665432 5.618212 25.062733 # 2 HOH +2584 862 1 -0.847600 6.824274 27.596014 32.576298 # 1 HOH +2585 862 2 0.423800 6.141173 27.317768 31.777903 # 2 HOH +2586 862 2 0.423800 6.868715 26.866795 33.269367 # 2 HOH +2587 863 1 -0.847600 35.757786 34.519047 18.372059 # 1 HOH +2588 863 2 0.423800 36.274845 35.312897 18.601734 # 2 HOH +2589 863 2 0.423800 35.471706 33.982376 19.227463 # 2 HOH +2590 864 1 -0.847600 26.012409 14.248769 27.143166 # 1 HOH +2591 864 2 0.423800 25.769226 13.455451 27.822462 # 2 HOH +2592 864 2 0.423800 25.603830 15.031390 27.629059 # 2 HOH +2593 865 1 -0.847600 25.428392 36.138786 5.108993 # 1 HOH +2594 865 2 0.423800 24.898191 35.265152 4.851570 # 2 HOH +2595 865 2 0.423800 25.421764 36.099762 6.239310 # 2 HOH +2596 866 1 -0.847600 31.888594 20.773155 6.580697 # 1 HOH +2597 866 2 0.423800 31.447872 19.929136 6.744959 # 2 HOH +2598 866 2 0.423800 32.754257 20.439735 6.221596 # 2 HOH +2599 867 1 -0.847600 12.883942 43.378319 38.133511 # 1 HOH +2600 867 2 0.423800 13.386694 42.830238 38.689110 # 2 HOH +2601 867 2 0.423800 13.608831 44.116749 37.926754 # 2 HOH +2602 868 1 -0.847600 33.308800 8.039116 17.100224 # 1 HOH +2603 868 2 0.423800 33.133900 7.076965 16.973764 # 2 HOH +2604 868 2 0.423800 32.544598 8.511336 16.920107 # 2 HOH +2605 869 1 -0.847600 6.540630 9.499931 13.197573 # 1 HOH +2606 869 2 0.423800 5.818422 9.074494 13.781777 # 2 HOH +2607 869 2 0.423800 7.237555 8.766555 13.204607 # 2 HOH +2608 870 1 -0.847600 18.161047 7.396684 39.197006 # 1 HOH +2609 870 2 0.423800 17.167101 7.560035 38.753132 # 2 HOH +2610 870 2 0.423800 18.548773 8.306463 39.227245 # 2 HOH +2611 871 1 -0.847600 5.661318 0.326531 3.473226 # 1 HOH +2612 871 2 0.423800 5.438346 1.300061 3.396197 # 2 HOH +2613 871 2 0.423800 6.511710 0.167578 2.916783 # 2 HOH +2614 872 1 -0.847600 23.635418 35.343651 37.926083 # 1 HOH +2615 872 2 0.423800 22.821472 34.728420 37.963882 # 2 HOH +2616 872 2 0.423800 23.292257 36.248398 38.002342 # 2 HOH +2617 873 1 -0.847600 23.670729 6.114864 33.719810 # 1 HOH +2618 873 2 0.423800 23.791338 7.154760 34.021893 # 2 HOH +2619 873 2 0.423800 22.965944 6.281747 33.018250 # 2 HOH +2620 874 1 -0.847600 40.259003 34.720440 36.148609 # 1 HOH +2621 874 2 0.423800 39.381207 34.962524 35.841801 # 2 HOH +2622 874 2 0.423800 40.852909 34.269989 35.476128 # 2 HOH +2623 875 1 -0.847600 41.710278 10.109089 34.817146 # 1 HOH +2624 875 2 0.423800 42.656227 10.490371 35.121380 # 2 HOH +2625 875 2 0.423800 41.111851 10.879207 34.955070 # 2 HOH +2626 876 1 -0.847600 38.229000 0.341285 17.330627 # 1 HOH +2627 876 2 0.423800 37.247623 0.144968 17.722616 # 2 HOH +2628 876 2 0.423800 38.799316 0.358308 18.111595 # 2 HOH +2629 877 1 -0.847600 29.547279 26.991642 25.742765 # 1 HOH +2630 877 2 0.423800 30.015480 26.070450 25.677794 # 2 HOH +2631 877 2 0.423800 30.323812 27.600828 25.882877 # 2 HOH +2632 878 1 -0.847600 30.342863 21.175308 14.464575 # 1 HOH +2633 878 2 0.423800 29.544436 21.385704 14.943614 # 2 HOH +2634 878 2 0.423800 29.996796 20.944685 13.604157 # 2 HOH +2635 879 1 -0.847600 40.996471 5.595246 0.947644 # 1 HOH +2636 879 2 0.423800 41.488319 6.379790 0.633856 # 2 HOH +2637 879 2 0.423800 40.059940 5.895779 1.108907 # 2 HOH +2638 880 1 -0.847600 19.748016 15.577845 33.622169 # 1 HOH +2639 880 2 0.423800 20.574781 16.174902 33.456253 # 2 HOH +2640 880 2 0.423800 19.608562 15.124357 32.697964 # 2 HOH +2641 881 1 -0.847600 26.721243 23.282742 27.405655 # 1 HOH +2642 881 2 0.423800 26.593145 24.157385 27.002876 # 2 HOH +2643 881 2 0.423800 26.491186 22.571930 26.700874 # 2 HOH +2644 882 1 -0.847600 14.710316 35.917011 8.804310 # 1 HOH +2645 882 2 0.423800 14.449572 35.570759 9.784410 # 2 HOH +2646 882 2 0.423800 15.205388 36.745300 9.008835 # 2 HOH +2647 883 1 -0.847600 18.115850 45.000916 24.777973 # 1 HOH +2648 883 2 0.423800 18.688551 45.871147 24.894402 # 2 HOH +2649 883 2 0.423800 18.727406 44.321777 25.064686 # 2 HOH +2650 884 1 -0.847600 31.775709 18.696892 0.315621 # 1 HOH +2651 884 2 0.423800 31.916313 18.608709 1.348470 # 2 HOH +2652 884 2 0.423800 32.086399 19.546202 -0.056079 # 2 HOH +2653 885 1 -0.847600 27.453062 1.333814 17.988016 # 1 HOH +2654 885 2 0.423800 28.432266 1.582772 17.879545 # 2 HOH +2655 885 2 0.423800 27.380489 1.377530 18.992760 # 2 HOH +2656 886 1 -0.847600 22.096817 11.727125 38.642242 # 1 HOH +2657 886 2 0.423800 21.317062 12.206570 38.285984 # 2 HOH +2658 886 2 0.423800 21.639721 11.550801 39.626480 # 2 HOH +2659 887 1 -0.847600 36.886997 40.771484 14.551462 # 1 HOH +2660 887 2 0.423800 36.553097 41.684334 14.326802 # 2 HOH +2661 887 2 0.423800 37.281582 40.850506 15.417080 # 2 HOH +2662 888 1 -0.847600 20.483685 2.385931 38.104774 # 1 HOH +2663 888 2 0.423800 21.007116 1.543777 37.647587 # 2 HOH +2664 888 2 0.423800 21.108309 3.121837 38.312229 # 2 HOH +2665 889 1 -0.847600 29.984987 26.145128 30.077730 # 1 HOH +2666 889 2 0.423800 29.556038 26.924366 29.694218 # 2 HOH +2667 889 2 0.423800 30.740248 25.974733 29.470255 # 2 HOH +2668 890 1 -0.847600 22.844099 7.116735 15.037425 # 1 HOH +2669 890 2 0.423800 22.599201 6.239382 15.424636 # 2 HOH +2670 890 2 0.423800 23.316425 7.721878 15.751640 # 2 HOH +2671 891 1 -0.847600 35.879200 29.842131 2.823812 # 1 HOH +2672 891 2 0.423800 34.989079 29.358967 2.675719 # 2 HOH +2673 891 2 0.423800 35.845787 30.374201 3.677641 # 2 HOH +2674 892 1 -0.847600 27.478838 15.702344 14.142064 # 1 HOH +2675 892 2 0.423800 28.077076 15.513647 13.343895 # 2 HOH +2676 892 2 0.423800 27.533825 14.774357 14.679787 # 2 HOH +2677 893 1 -0.847600 2.206077 11.976565 39.825928 # 1 HOH +2678 893 2 0.423800 1.430572 12.482548 40.242966 # 2 HOH +2679 893 2 0.423800 1.803219 11.020296 39.648983 # 2 HOH +2680 894 1 -0.847600 36.874805 1.253006 26.737833 # 1 HOH +2681 894 2 0.423800 37.137249 0.501689 26.065897 # 2 HOH +2682 894 2 0.423800 36.133137 1.704632 26.350206 # 2 HOH +2683 895 1 -0.847600 18.421005 29.717981 14.968901 # 1 HOH +2684 895 2 0.423800 17.931246 29.138567 14.313528 # 2 HOH +2685 895 2 0.423800 19.172514 29.159765 15.133962 # 2 HOH +2686 896 1 -0.847600 32.814701 35.258274 38.205238 # 1 HOH +2687 896 2 0.423800 33.054192 35.974663 38.766304 # 2 HOH +2688 896 2 0.423800 32.635815 35.696507 37.339817 # 2 HOH +2689 897 1 -0.847600 37.445122 21.032352 8.918266 # 1 HOH +2690 897 2 0.423800 37.746117 21.489328 8.124878 # 2 HOH +2691 897 2 0.423800 38.243320 20.830923 9.511765 # 2 HOH +2692 898 1 -0.847600 18.472294 35.999813 36.073860 # 1 HOH +2693 898 2 0.423800 18.657463 35.865589 37.044598 # 2 HOH +2694 898 2 0.423800 17.505402 35.523067 35.943825 # 2 HOH +2695 899 1 -0.847600 43.314060 26.990000 41.122036 # 1 HOH +2696 899 2 0.423800 44.317867 26.972191 40.935616 # 2 HOH +2697 899 2 0.423800 43.048660 27.780966 41.739822 # 2 HOH +2698 900 1 -0.847600 38.403503 42.149128 4.176279 # 1 HOH +2699 900 2 0.423800 37.999088 41.179279 4.095631 # 2 HOH +2700 900 2 0.423800 38.620285 42.555199 3.288464 # 2 HOH +2701 901 1 -0.847600 32.019379 27.237427 6.692990 # 1 HOH +2702 901 2 0.423800 31.728674 26.979580 7.608356 # 2 HOH +2703 901 2 0.423800 31.435768 26.623785 6.024006 # 2 HOH +2704 902 1 -0.847600 7.588815 23.998022 22.296658 # 1 HOH +2705 902 2 0.423800 7.583147 23.709080 23.249529 # 2 HOH +2706 902 2 0.423800 8.215590 23.303514 21.873549 # 2 HOH +2707 903 1 -0.847600 4.849333 5.702631 26.123800 # 1 HOH +2708 903 2 0.423800 5.000522 6.665238 25.670334 # 2 HOH +2709 903 2 0.423800 4.385036 5.918344 27.040281 # 2 HOH +2710 904 1 -0.847600 20.672148 26.350914 5.928306 # 1 HOH +2711 904 2 0.423800 20.591871 26.718481 6.904140 # 2 HOH +2712 904 2 0.423800 20.219027 25.415943 5.850679 # 2 HOH +2713 905 1 -0.847600 8.337953 41.200996 20.024904 # 1 HOH +2714 905 2 0.423800 8.707917 40.405891 19.615843 # 2 HOH +2715 905 2 0.423800 7.370157 41.280937 19.600744 # 2 HOH +2716 906 1 -0.847600 23.535494 35.969635 24.750460 # 1 HOH +2717 906 2 0.423800 24.522556 35.934711 24.600945 # 2 HOH +2718 906 2 0.423800 23.197664 34.951874 24.871235 # 2 HOH +2719 907 1 -0.847600 10.432592 24.774754 31.958834 # 1 HOH +2720 907 2 0.423800 10.765007 25.724846 32.058277 # 2 HOH +2721 907 2 0.423800 11.215507 24.388212 31.349670 # 2 HOH +2722 908 1 -0.847600 37.021458 43.348007 7.217877 # 1 HOH +2723 908 2 0.423800 37.545338 43.310013 8.127970 # 2 HOH +2724 908 2 0.423800 37.668694 43.356400 6.448681 # 2 HOH +2725 909 1 -0.847600 21.792149 25.039631 42.060139 # 1 HOH +2726 909 2 0.423800 21.185810 25.824871 41.662098 # 2 HOH +2727 909 2 0.423800 22.687826 25.317532 41.819382 # 2 HOH +2728 910 1 -0.847600 0.428791 29.484062 -0.116365 # 1 HOH +2729 910 2 0.423800 0.509488 30.491653 0.233264 # 2 HOH +2730 910 2 0.423800 1.306478 29.102362 0.085717 # 2 HOH +2731 911 1 -0.847600 36.930386 13.677899 12.805739 # 1 HOH +2732 911 2 0.423800 37.171844 13.355730 11.953086 # 2 HOH +2733 911 2 0.423800 37.549145 14.486392 12.783454 # 2 HOH +2734 912 1 -0.847600 25.333820 36.073376 8.010623 # 1 HOH +2735 912 2 0.423800 25.812864 36.894192 8.390995 # 2 HOH +2736 912 2 0.423800 25.361280 35.432568 8.784738 # 2 HOH +2737 913 1 -0.847600 42.553242 30.273180 12.838313 # 1 HOH +2738 913 2 0.423800 43.026016 30.604473 13.565191 # 2 HOH +2739 913 2 0.423800 42.101097 31.039934 12.346939 # 2 HOH +2740 914 1 -0.847600 9.224283 26.680651 40.462727 # 1 HOH +2741 914 2 0.423800 9.476665 27.125540 39.655720 # 2 HOH +2742 914 2 0.423800 9.773414 27.240673 41.114197 # 2 HOH +2743 915 1 -0.847600 39.450054 21.143759 33.651237 # 1 HOH +2744 915 2 0.423800 39.635326 21.019596 34.687134 # 2 HOH +2745 915 2 0.423800 39.238194 22.082111 33.737556 # 2 HOH +2746 916 1 -0.847600 21.429459 28.183317 12.731709 # 1 HOH +2747 916 2 0.423800 20.738228 28.900330 12.633718 # 2 HOH +2748 916 2 0.423800 21.862417 28.062014 11.834229 # 2 HOH +2749 917 1 -0.847600 20.890917 7.125236 19.028168 # 1 HOH +2750 917 2 0.423800 20.643791 6.778687 19.991186 # 2 HOH +2751 917 2 0.423800 21.036230 8.149437 19.214235 # 2 HOH +2752 918 1 -0.847600 2.413857 15.859922 2.508439 # 1 HOH +2753 918 2 0.423800 3.310833 16.358076 2.499034 # 2 HOH +2754 918 2 0.423800 2.030888 16.368702 1.736578 # 2 HOH +2755 919 1 -0.847600 19.266872 19.211382 11.084376 # 1 HOH +2756 919 2 0.423800 18.330402 19.617823 11.023661 # 2 HOH +2757 919 2 0.423800 19.333250 18.152033 10.675149 # 2 HOH +2758 920 1 -0.847600 1.842513 12.666536 20.025871 # 1 HOH +2759 920 2 0.423800 2.549866 11.960576 20.371311 # 2 HOH +2760 920 2 0.423800 1.029292 11.988925 19.873205 # 2 HOH +2761 921 1 -0.847600 16.552732 35.446369 17.248985 # 1 HOH +2762 921 2 0.423800 16.368807 35.486370 18.219669 # 2 HOH +2763 921 2 0.423800 15.641250 35.306034 16.846437 # 2 HOH +2764 922 1 -0.847600 4.939738 24.038984 29.966488 # 1 HOH +2765 922 2 0.423800 5.879834 24.277262 29.789289 # 2 HOH +2766 922 2 0.423800 4.749960 23.168646 29.467417 # 2 HOH +2767 923 1 -0.847600 12.587909 33.970188 28.549850 # 1 HOH +2768 923 2 0.423800 13.164742 34.702461 28.111279 # 2 HOH +2769 923 2 0.423800 13.224871 33.448750 29.057684 # 2 HOH +2770 924 1 -0.847600 27.354671 22.243452 9.369651 # 1 HOH +2771 924 2 0.423800 27.628242 21.473301 8.906819 # 2 HOH +2772 924 2 0.423800 28.156841 22.742321 9.804123 # 2 HOH +2773 925 1 -0.847600 12.213192 21.729437 10.378532 # 1 HOH +2774 925 2 0.423800 13.154332 21.202143 10.311058 # 2 HOH +2775 925 2 0.423800 12.316518 22.523676 9.769310 # 2 HOH +2776 926 1 -0.847600 9.774543 11.556885 38.665676 # 1 HOH +2777 926 2 0.423800 10.176665 10.835434 38.101036 # 2 HOH +2778 926 2 0.423800 8.743080 11.302068 38.764259 # 2 HOH +2779 927 1 -0.847600 37.543568 10.286366 23.376575 # 1 HOH +2780 927 2 0.423800 38.286400 10.621815 22.765900 # 2 HOH +2781 927 2 0.423800 37.621304 9.348577 23.286549 # 2 HOH +2782 928 1 -0.847600 39.513374 36.864910 24.608187 # 1 HOH +2783 928 2 0.423800 39.916294 37.205879 25.465534 # 2 HOH +2784 928 2 0.423800 38.838196 36.172871 24.902184 # 2 HOH +2785 929 1 -0.847600 42.680176 6.379515 4.848319 # 1 HOH +2786 929 2 0.423800 43.681194 6.348855 5.075336 # 2 HOH +2787 929 2 0.423800 42.591015 7.128853 4.049692 # 2 HOH +2788 930 1 -0.847600 21.844072 36.025658 3.044074 # 1 HOH +2789 930 2 0.423800 21.203922 35.298923 3.394783 # 2 HOH +2790 930 2 0.423800 22.642830 35.513546 2.958153 # 2 HOH +2791 931 1 -0.847600 25.216530 18.429050 23.145201 # 1 HOH +2792 931 2 0.423800 24.861429 17.983820 22.279766 # 2 HOH +2793 931 2 0.423800 25.433050 17.645504 23.675985 # 2 HOH +2794 932 1 -0.847600 7.683985 36.276623 27.732954 # 1 HOH +2795 932 2 0.423800 7.034403 35.988552 28.445259 # 2 HOH +2796 932 2 0.423800 8.062530 35.278923 27.378443 # 2 HOH +2797 933 1 -0.847600 36.567158 21.672405 36.891109 # 1 HOH +2798 933 2 0.423800 37.492115 21.749140 36.485477 # 2 HOH +2799 933 2 0.423800 35.918758 21.552937 36.166164 # 2 HOH +2800 934 1 -0.847600 28.269842 41.269100 14.220991 # 1 HOH +2801 934 2 0.423800 28.637115 40.583481 14.884716 # 2 HOH +2802 934 2 0.423800 27.540071 41.776897 14.630754 # 2 HOH +2803 935 1 -0.847600 24.121353 7.604776 21.282562 # 1 HOH +2804 935 2 0.423800 23.654869 8.578259 21.345064 # 2 HOH +2805 935 2 0.423800 24.426983 7.500447 22.214628 # 2 HOH +2806 936 1 -0.847600 30.853081 12.692430 32.337364 # 1 HOH +2807 936 2 0.423800 30.850357 11.720178 31.956978 # 2 HOH +2808 936 2 0.423800 30.885353 12.562326 33.334839 # 2 HOH +2809 937 1 -0.847600 35.955715 40.368252 6.855341 # 1 HOH +2810 937 2 0.423800 35.964378 40.948479 6.146104 # 2 HOH +2811 937 2 0.423800 34.957249 40.436325 7.136134 # 2 HOH +2812 938 1 -0.847600 23.138201 38.303883 29.337227 # 1 HOH +2813 938 2 0.423800 22.465565 38.548065 30.029585 # 2 HOH +2814 938 2 0.423800 23.944872 37.958916 29.830917 # 2 HOH +2815 939 1 -0.847600 26.433065 12.891417 36.722569 # 1 HOH +2816 939 2 0.423800 25.685951 13.532553 36.405323 # 2 HOH +2817 939 2 0.423800 25.884224 12.061757 36.809856 # 2 HOH +2818 940 1 -0.847600 21.184385 9.067768 26.438961 # 1 HOH +2819 940 2 0.423800 21.768654 9.744071 25.983507 # 2 HOH +2820 940 2 0.423800 21.809891 8.287722 26.702778 # 2 HOH +2821 941 1 -0.847600 39.621960 25.643745 4.359362 # 1 HOH +2822 941 2 0.423800 39.767342 25.601076 3.433771 # 2 HOH +2823 941 2 0.423800 39.675251 26.684856 4.452749 # 2 HOH +2824 942 1 -0.847600 9.619955 10.488470 21.131565 # 1 HOH +2825 942 2 0.423800 9.183737 11.320415 21.604742 # 2 HOH +2826 942 2 0.423800 10.244249 10.184822 21.809046 # 2 HOH +2827 943 1 -0.847600 20.119736 9.029589 31.879404 # 1 HOH +2828 943 2 0.423800 19.392956 9.436692 32.357403 # 2 HOH +2829 943 2 0.423800 19.841936 9.179391 30.971373 # 2 HOH +2830 944 1 -0.847600 35.625046 42.407242 24.526657 # 1 HOH +2831 944 2 0.423800 35.494392 42.330193 25.564610 # 2 HOH +2832 944 2 0.423800 34.646080 42.515457 24.129107 # 2 HOH +2833 945 1 -0.847600 30.770700 8.079368 33.326214 # 1 HOH +2834 945 2 0.423800 30.213448 7.235557 33.246189 # 2 HOH +2835 945 2 0.423800 30.903072 8.194159 34.374294 # 2 HOH +2836 946 1 -0.847600 19.211315 34.424240 20.800587 # 1 HOH +2837 946 2 0.423800 18.313911 34.211941 21.020958 # 2 HOH +2838 946 2 0.423800 19.258522 35.433857 20.753935 # 2 HOH +2839 947 1 -0.847600 28.099245 12.216432 23.648666 # 1 HOH +2840 947 2 0.423800 28.876726 11.452959 23.741327 # 2 HOH +2841 947 2 0.423800 28.148487 12.516412 22.723328 # 2 HOH +2842 948 1 -0.847600 26.957693 26.439518 17.009508 # 1 HOH +2843 948 2 0.423800 26.181593 26.777870 16.470280 # 2 HOH +2844 948 2 0.423800 27.535362 25.966524 16.291384 # 2 HOH +2845 949 1 -0.847600 19.108606 11.748137 2.789183 # 1 HOH +2846 949 2 0.423800 19.195745 11.701180 3.830900 # 2 HOH +2847 949 2 0.423800 18.722000 12.662437 2.704840 # 2 HOH +2848 950 1 -0.847600 35.261673 35.741501 40.056694 # 1 HOH +2849 950 2 0.423800 35.351555 34.880360 39.579594 # 2 HOH +2850 950 2 0.423800 35.892624 36.437481 39.572956 # 2 HOH +2851 951 1 -0.847600 10.316826 19.962376 27.645496 # 1 HOH +2852 951 2 0.423800 9.680558 20.711737 27.803951 # 2 HOH +2853 951 2 0.423800 10.804376 20.080624 26.691626 # 2 HOH +2854 952 1 -0.847600 2.611069 33.080566 19.852245 # 1 HOH +2855 952 2 0.423800 1.810934 32.869392 19.240850 # 2 HOH +2856 952 2 0.423800 2.757601 33.977608 19.749594 # 2 HOH +2857 953 1 -0.847600 33.287804 19.270802 34.667583 # 1 HOH +2858 953 2 0.423800 33.222626 20.090786 33.958397 # 2 HOH +2859 953 2 0.423800 32.373013 18.810251 34.610729 # 2 HOH +2860 954 1 -0.847600 27.083200 21.830667 22.607502 # 1 HOH +2861 954 2 0.423800 27.639584 21.092638 22.483232 # 2 HOH +2862 954 2 0.423800 26.905210 22.110792 21.687164 # 2 HOH +2863 955 1 -0.847600 23.174458 42.970913 9.750461 # 1 HOH +2864 955 2 0.423800 23.617994 42.802025 10.633362 # 2 HOH +2865 955 2 0.423800 22.257425 42.668545 9.878496 # 2 HOH +2866 956 1 -0.847600 9.494861 15.337224 33.103199 # 1 HOH +2867 956 2 0.423800 10.007340 16.141600 33.459076 # 2 HOH +2868 956 2 0.423800 10.063575 14.624452 33.511993 # 2 HOH +2869 957 1 -0.847600 30.742083 18.958731 16.648239 # 1 HOH +2870 957 2 0.423800 30.796625 19.313444 15.785880 # 2 HOH +2871 957 2 0.423800 30.526335 19.863121 17.193233 # 2 HOH +2872 958 1 -0.847600 5.757211 39.221756 23.322842 # 1 HOH +2873 958 2 0.423800 5.902220 40.179802 23.389109 # 2 HOH +2874 958 2 0.423800 6.392201 38.912399 22.618931 # 2 HOH +2875 959 1 -0.847600 9.667690 4.797135 26.282228 # 1 HOH +2876 959 2 0.423800 10.047108 5.706396 26.082434 # 2 HOH +2877 959 2 0.423800 10.239291 4.448024 27.036623 # 2 HOH +2878 960 1 -0.847600 27.782152 3.977493 15.492292 # 1 HOH +2879 960 2 0.423800 28.003206 3.246228 14.956783 # 2 HOH +2880 960 2 0.423800 27.870861 3.591629 16.366976 # 2 HOH +2881 961 1 -0.847600 13.518181 43.841225 12.863670 # 1 HOH +2882 961 2 0.423800 13.073745 43.734364 13.795960 # 2 HOH +2883 961 2 0.423800 12.807797 43.713020 12.070696 # 2 HOH +2884 962 1 -0.847600 41.490597 23.590727 28.337761 # 1 HOH +2885 962 2 0.423800 41.453182 24.016829 27.450449 # 2 HOH +2886 962 2 0.423800 40.696255 23.018917 28.447104 # 2 HOH +2887 963 1 -0.847600 32.354511 33.228344 34.973003 # 1 HOH +2888 963 2 0.423800 33.141235 32.678646 35.329762 # 2 HOH +2889 963 2 0.423800 31.491869 32.826347 35.526089 # 2 HOH +2890 964 1 -0.847600 13.604661 13.370386 18.434931 # 1 HOH +2891 964 2 0.423800 12.965780 13.044675 19.115934 # 2 HOH +2892 964 2 0.423800 14.508660 13.138339 18.818600 # 2 HOH +2893 965 1 -0.847600 38.561142 14.115296 35.707390 # 1 HOH +2894 965 2 0.423800 38.055992 14.658461 35.153450 # 2 HOH +2895 965 2 0.423800 37.897022 13.464142 36.139751 # 2 HOH +2896 966 1 -0.847600 10.271012 28.540609 42.122135 # 1 HOH +2897 966 2 0.423800 9.521628 28.922264 42.818935 # 2 HOH +2898 966 2 0.423800 11.015986 28.306353 42.853752 # 2 HOH +2899 967 1 -0.847600 35.471493 30.762016 19.413013 # 1 HOH +2900 967 2 0.423800 35.687592 31.216806 18.546862 # 2 HOH +2901 967 2 0.423800 35.592396 31.522243 20.096748 # 2 HOH +2902 968 1 -0.847600 24.447897 41.586365 3.251540 # 1 HOH +2903 968 2 0.423800 24.748508 42.334682 2.691567 # 2 HOH +2904 968 2 0.423800 23.831146 41.938660 3.972633 # 2 HOH +2905 969 1 -0.847600 12.676479 11.107235 25.160387 # 1 HOH +2906 969 2 0.423800 13.008330 10.301000 25.586533 # 2 HOH +2907 969 2 0.423800 13.384779 11.726184 25.478109 # 2 HOH +2908 970 1 -0.847600 11.841997 12.946941 2.989460 # 1 HOH +2909 970 2 0.423800 11.000121 12.332820 2.973911 # 2 HOH +2910 970 2 0.423800 12.378229 12.762079 3.795003 # 2 HOH +2911 971 1 -0.847600 39.951019 42.095245 36.549179 # 1 HOH +2912 971 2 0.423800 39.732731 41.083435 36.588326 # 2 HOH +2913 971 2 0.423800 40.398445 42.218739 35.680485 # 2 HOH +2914 972 1 -0.847600 21.836882 37.194477 14.648415 # 1 HOH +2915 972 2 0.423800 20.971672 36.692562 14.543574 # 2 HOH +2916 972 2 0.423800 21.626842 38.014790 14.137966 # 2 HOH +2917 973 1 -0.847600 14.824301 6.034906 16.081900 # 1 HOH +2918 973 2 0.423800 15.566473 5.468220 16.440121 # 2 HOH +2919 973 2 0.423800 14.078003 5.432636 16.226681 # 2 HOH +2920 974 1 -0.847600 12.302086 32.929089 19.378567 # 1 HOH +2921 974 2 0.423800 13.090310 32.381153 19.530228 # 2 HOH +2922 974 2 0.423800 11.495396 32.360592 19.713173 # 2 HOH +2923 975 1 -0.847600 1.936667 7.187897 5.695642 # 1 HOH +2924 975 2 0.423800 2.615472 7.211018 4.894467 # 2 HOH +2925 975 2 0.423800 1.963012 8.079655 6.230565 # 2 HOH +2926 976 1 -0.847600 4.945112 43.518528 23.832899 # 1 HOH +2927 976 2 0.423800 5.308269 44.151623 24.506758 # 2 HOH +2928 976 2 0.423800 5.622002 43.506630 23.053984 # 2 HOH +2929 977 1 -0.847600 36.201637 5.466461 27.090014 # 1 HOH +2930 977 2 0.423800 36.400753 6.464273 26.987680 # 2 HOH +2931 977 2 0.423800 36.591999 5.055217 26.278326 # 2 HOH +2932 978 1 -0.847600 28.827604 40.343903 38.726585 # 1 HOH +2933 978 2 0.423800 28.190756 40.052361 39.509079 # 2 HOH +2934 978 2 0.423800 28.714594 41.325241 38.400127 # 2 HOH +2935 979 1 -0.847600 5.019633 23.664234 1.243076 # 1 HOH +2936 979 2 0.423800 4.668074 22.997135 1.799629 # 2 HOH +2937 979 2 0.423800 5.354121 23.219582 0.453990 # 2 HOH +2938 980 1 -0.847600 21.496752 37.257565 40.245403 # 1 HOH +2939 980 2 0.423800 21.031063 38.254177 40.451828 # 2 HOH +2940 980 2 0.423800 21.628899 37.235123 39.166454 # 2 HOH +2941 981 1 -0.847600 33.087986 1.818692 36.048431 # 1 HOH +2942 981 2 0.423800 33.307613 0.837931 35.866291 # 2 HOH +2943 981 2 0.423800 32.472370 2.145411 35.235554 # 2 HOH +2944 982 1 -0.847600 26.415047 17.501183 4.847221 # 1 HOH +2945 982 2 0.423800 26.309290 16.529037 4.786079 # 2 HOH +2946 982 2 0.423800 26.886967 17.787085 3.997224 # 2 HOH +2947 983 1 -0.847600 5.642464 4.177817 6.636245 # 1 HOH +2948 983 2 0.423800 4.720228 3.945647 6.273535 # 2 HOH +2949 983 2 0.423800 6.181702 4.626870 5.922898 # 2 HOH +2950 984 1 -0.847600 28.439043 27.304018 1.630439 # 1 HOH +2951 984 2 0.423800 28.115917 26.412140 1.491271 # 2 HOH +2952 984 2 0.423800 29.407854 27.186380 2.172351 # 2 HOH +2953 985 1 -0.847600 8.230449 15.382008 5.589964 # 1 HOH +2954 985 2 0.423800 8.566648 14.529075 6.017798 # 2 HOH +2955 985 2 0.423800 8.725032 16.146685 5.995623 # 2 HOH +2956 986 1 -0.847600 40.753132 27.969175 17.411697 # 1 HOH +2957 986 2 0.423800 40.123783 28.642097 17.117615 # 2 HOH +2958 986 2 0.423800 40.680309 27.993305 18.395519 # 2 HOH +2959 987 1 -0.847600 6.310988 24.839973 33.389946 # 1 HOH +2960 987 2 0.423800 5.922474 23.863945 33.487236 # 2 HOH +2961 987 2 0.423800 6.701767 25.049707 34.274975 # 2 HOH +2962 988 1 -0.847600 10.461528 7.653226 17.735445 # 1 HOH +2963 988 2 0.423800 9.922431 8.224350 17.055468 # 2 HOH +2964 988 2 0.423800 11.499578 7.956474 17.626892 # 2 HOH +2965 989 1 -0.847600 17.827208 25.761532 39.539921 # 1 HOH +2966 989 2 0.423800 18.201876 25.091743 38.883373 # 2 HOH +2967 989 2 0.423800 18.532488 26.413841 39.856121 # 2 HOH +2968 990 1 -0.847600 39.094345 27.136192 23.032349 # 1 HOH +2969 990 2 0.423800 39.505398 26.304480 22.800884 # 2 HOH +2970 990 2 0.423800 38.224724 27.068214 22.385998 # 2 HOH +2971 991 1 -0.847600 15.550043 22.434334 13.522770 # 1 HOH +2972 991 2 0.423800 14.952051 22.492807 14.344134 # 2 HOH +2973 991 2 0.423800 16.344746 22.908661 13.887482 # 2 HOH +2974 992 1 -0.847600 2.114138 15.326452 20.922472 # 1 HOH +2975 992 2 0.423800 2.144151 14.441546 20.456989 # 2 HOH +2976 992 2 0.423800 2.904201 15.340269 21.432234 # 2 HOH +2977 993 1 -0.847600 35.086582 9.960373 16.270674 # 1 HOH +2978 993 2 0.423800 35.896557 9.669903 16.882084 # 2 HOH +2979 993 2 0.423800 34.333805 9.385736 16.609476 # 2 HOH +2980 994 1 -0.847600 3.680581 20.694403 42.400299 # 1 HOH +2981 994 2 0.423800 4.619916 21.044857 42.149994 # 2 HOH +2982 994 2 0.423800 3.726324 20.106155 43.186935 # 2 HOH +2983 995 1 -0.847600 39.735138 25.782551 36.005211 # 1 HOH +2984 995 2 0.423800 40.628288 25.511776 35.578335 # 2 HOH +2985 995 2 0.423800 39.589840 26.745569 35.747482 # 2 HOH +2986 996 1 -0.847600 11.443193 36.978168 29.623278 # 1 HOH +2987 996 2 0.423800 11.698690 36.055172 29.969810 # 2 HOH +2988 996 2 0.423800 12.206306 37.512695 30.184971 # 2 HOH +2989 997 1 -0.847600 39.486820 39.943821 12.094376 # 1 HOH +2990 997 2 0.423800 39.503128 40.951294 12.169994 # 2 HOH +2991 997 2 0.423800 39.833729 39.733440 12.966240 # 2 HOH +2992 998 1 -0.847600 22.064323 13.799889 34.084766 # 1 HOH +2993 998 2 0.423800 21.153610 14.132234 33.726177 # 2 HOH +2994 998 2 0.423800 22.550203 13.504827 33.301323 # 2 HOH +2995 999 1 -0.847600 19.635712 36.947445 17.569221 # 1 HOH +2996 999 2 0.423800 20.558859 37.383038 17.824787 # 2 HOH +2997 999 2 0.423800 19.217417 36.811283 18.369301 # 2 HOH +2998 1000 1 -0.847600 42.337418 25.737514 38.823425 # 1 HOH +2999 1000 2 0.423800 41.711124 25.605175 39.622772 # 2 HOH +3000 1000 2 0.423800 43.080578 26.152044 39.173996 # 2 HOH +3001 1001 1 -0.847600 16.832888 36.649982 14.851013 # 1 HOH +3002 1001 2 0.423800 16.047302 37.101112 14.429617 # 2 HOH +3003 1001 2 0.423800 16.599279 36.150974 15.745409 # 2 HOH +3004 1002 1 -0.847600 2.416210 24.481459 21.499832 # 1 HOH +3005 1002 2 0.423800 3.127154 24.813791 20.922407 # 2 HOH +3006 1002 2 0.423800 1.640680 24.275122 20.932175 # 2 HOH +3007 1003 1 -0.847600 0.940010 43.130093 5.023269 # 1 HOH +3008 1003 2 0.423800 1.381641 43.665127 4.351344 # 2 HOH +3009 1003 2 0.423800 -0.121964 43.115654 4.906978 # 2 HOH +3010 1004 1 -0.847600 34.889610 22.149143 34.780098 # 1 HOH +3011 1004 2 0.423800 34.523003 21.543863 34.188824 # 2 HOH +3012 1004 2 0.423800 35.467258 22.750221 34.193245 # 2 HOH +3013 1005 1 -0.847600 13.088496 8.235841 17.066149 # 1 HOH +3014 1005 2 0.423800 13.919155 7.778989 17.315502 # 2 HOH +3015 1005 2 0.423800 12.987261 7.931402 16.071447 # 2 HOH +3016 1006 1 -0.847600 7.640525 11.065112 16.357147 # 1 HOH +3017 1006 2 0.423800 7.182349 11.327391 17.231876 # 2 HOH +3018 1006 2 0.423800 7.070621 11.290312 15.500967 # 2 HOH +3019 1007 1 -0.847600 38.895496 34.968250 18.216759 # 1 HOH +3020 1007 2 0.423800 38.118938 35.369431 18.722239 # 2 HOH +3021 1007 2 0.423800 38.676838 35.317787 17.333412 # 2 HOH +3022 1008 1 -0.847600 16.051067 42.881714 13.753476 # 1 HOH +3023 1008 2 0.423800 16.606562 42.427860 13.044491 # 2 HOH +3024 1008 2 0.423800 15.184521 43.276852 13.254514 # 2 HOH +3025 1009 1 -0.847600 44.069908 32.022289 40.414082 # 1 HOH +3026 1009 2 0.423800 43.707096 31.074259 40.038113 # 2 HOH +3027 1009 2 0.423800 43.190205 32.329582 40.777393 # 2 HOH +3028 1010 1 -0.847600 4.911136 26.633341 12.182885 # 1 HOH +3029 1010 2 0.423800 5.318377 27.386650 12.635877 # 2 HOH +3030 1010 2 0.423800 4.714142 26.050352 12.980541 # 2 HOH +3031 1011 1 -0.847600 35.726067 11.716591 2.801631 # 1 HOH +3032 1011 2 0.423800 35.243656 10.856146 2.605445 # 2 HOH +3033 1011 2 0.423800 35.488178 11.757915 3.742369 # 2 HOH +3034 1012 1 -0.847600 5.748664 28.776663 25.691160 # 1 HOH +3035 1012 2 0.423800 4.842579 28.797544 25.241369 # 2 HOH +3036 1012 2 0.423800 6.283147 28.160368 25.294325 # 2 HOH +3037 1013 1 -0.847600 7.872370 0.520331 18.495377 # 1 HOH +3038 1013 2 0.423800 8.752558 0.166729 18.799526 # 2 HOH +3039 1013 2 0.423800 7.638523 1.320692 18.999292 # 2 HOH +3040 1014 1 -0.847600 34.869125 6.371078 14.513213 # 1 HOH +3041 1014 2 0.423800 35.009045 5.411105 14.176003 # 2 HOH +3042 1014 2 0.423800 34.951031 6.126354 15.514133 # 2 HOH +3043 1015 1 -0.847600 13.428845 37.355789 34.939545 # 1 HOH +3044 1015 2 0.423800 12.687601 36.698627 34.832016 # 2 HOH +3045 1015 2 0.423800 14.156610 37.115623 34.203598 # 2 HOH +3046 1016 1 -0.847600 9.311132 42.949432 3.175160 # 1 HOH +3047 1016 2 0.423800 10.290157 42.889832 3.492277 # 2 HOH +3048 1016 2 0.423800 9.458018 43.493858 2.312227 # 2 HOH +3049 1017 1 -0.847600 15.012362 36.273045 32.897167 # 1 HOH +3050 1017 2 0.423800 15.715910 35.484486 32.781792 # 2 HOH +3051 1017 2 0.423800 14.281281 35.967270 32.255688 # 2 HOH +3052 1018 1 -0.847600 1.223176 26.450140 36.180035 # 1 HOH +3053 1018 2 0.423800 2.046727 26.895283 35.726749 # 2 HOH +3054 1018 2 0.423800 1.135149 27.021988 37.036869 # 2 HOH +3055 1019 1 -0.847600 15.523846 33.943291 41.413696 # 1 HOH +3056 1019 2 0.423800 16.241323 34.618446 41.602451 # 2 HOH +3057 1019 2 0.423800 15.983731 33.050110 41.485954 # 2 HOH +3058 1020 1 -0.847600 15.194330 24.110121 11.355729 # 1 HOH +3059 1020 2 0.423800 15.455130 23.728174 10.444276 # 2 HOH +3060 1020 2 0.423800 15.174762 23.429485 12.041412 # 2 HOH +3061 1021 1 -0.847600 33.547211 44.968624 40.996181 # 1 HOH +3062 1021 2 0.423800 33.509628 43.951843 40.766903 # 2 HOH +3063 1021 2 0.423800 33.459515 45.496449 40.139679 # 2 HOH +3064 1022 1 -0.847600 12.455891 25.669474 24.741966 # 1 HOH +3065 1022 2 0.423800 12.759145 26.287960 25.479712 # 2 HOH +3066 1022 2 0.423800 12.631405 26.229364 23.961576 # 2 HOH +3067 1023 1 -0.847600 31.858915 28.341448 32.255104 # 1 HOH +3068 1023 2 0.423800 31.037279 28.435225 31.724583 # 2 HOH +3069 1023 2 0.423800 32.073288 27.280825 32.246765 # 2 HOH +3070 1024 1 -0.847600 41.548569 37.026241 26.413704 # 1 HOH +3071 1024 2 0.423800 42.173729 37.342236 27.223167 # 2 HOH +3072 1024 2 0.423800 42.038666 37.280266 25.599379 # 2 HOH +3073 1025 1 -0.847600 35.692776 23.696306 11.949883 # 1 HOH +3074 1025 2 0.423800 36.533649 23.744242 12.384953 # 2 HOH +3075 1025 2 0.423800 35.155331 24.301573 12.511161 # 2 HOH +3076 1026 1 -0.847600 31.564135 23.153023 17.753260 # 1 HOH +3077 1026 2 0.423800 30.775114 22.510296 17.933290 # 2 HOH +3078 1026 2 0.423800 31.156427 23.900219 18.313019 # 2 HOH +3079 1027 1 -0.847600 30.378103 23.957338 34.787766 # 1 HOH +3080 1027 2 0.423800 29.591795 23.551258 35.379089 # 2 HOH +3081 1027 2 0.423800 29.887089 24.648407 34.172142 # 2 HOH +3082 1028 1 -0.847600 5.252937 12.923566 26.690023 # 1 HOH +3083 1028 2 0.423800 5.251616 13.930895 26.572737 # 2 HOH +3084 1028 2 0.423800 5.724124 12.795483 27.467932 # 2 HOH +3085 1029 1 -0.847600 2.485932 24.591690 31.275444 # 1 HOH +3086 1029 2 0.423800 1.700439 24.225859 30.801254 # 2 HOH +3087 1029 2 0.423800 3.164937 24.451389 30.661554 # 2 HOH +3088 1030 1 -0.847600 9.959425 42.432770 26.476929 # 1 HOH +3089 1030 2 0.423800 9.276967 42.919651 25.979246 # 2 HOH +3090 1030 2 0.423800 9.958422 42.977715 27.349209 # 2 HOH +3091 1031 1 -0.847600 43.748466 22.050985 7.738712 # 1 HOH +3092 1031 2 0.423800 43.886715 22.845928 8.383787 # 2 HOH +3093 1031 2 0.423800 43.058250 22.446047 7.053090 # 2 HOH +3094 1032 1 -0.847600 39.261333 32.225895 18.337330 # 1 HOH +3095 1032 2 0.423800 38.938953 33.217815 18.133835 # 2 HOH +3096 1032 2 0.423800 39.128014 32.010799 19.297453 # 2 HOH +3097 1033 1 -0.847600 29.213722 28.816347 10.292536 # 1 HOH +3098 1033 2 0.423800 28.437901 28.075148 10.299066 # 2 HOH +3099 1033 2 0.423800 29.538509 28.599430 11.228918 # 2 HOH +3100 1034 1 -0.847600 37.944935 22.887037 28.222292 # 1 HOH +3101 1034 2 0.423800 37.438778 23.132956 27.390093 # 2 HOH +3102 1034 2 0.423800 38.047184 23.757753 28.803717 # 2 HOH +3103 1035 1 -0.847600 18.497715 30.540627 42.339287 # 1 HOH +3104 1035 2 0.423800 18.744713 31.424982 42.760021 # 2 HOH +3105 1035 2 0.423800 18.469416 29.979300 43.190128 # 2 HOH +3106 1036 1 -0.847600 16.119528 6.624506 23.017189 # 1 HOH +3107 1036 2 0.423800 16.322062 6.719170 22.046316 # 2 HOH +3108 1036 2 0.423800 15.640145 5.791963 23.104170 # 2 HOH +3109 1037 1 -0.847600 18.820578 26.877247 24.745575 # 1 HOH +3110 1037 2 0.423800 17.827686 26.644192 24.652506 # 2 HOH +3111 1037 2 0.423800 19.396252 26.183073 25.106810 # 2 HOH +3112 1038 1 -0.847600 38.357124 15.102029 7.503474 # 1 HOH +3113 1038 2 0.423800 38.416275 15.265793 8.528118 # 2 HOH +3114 1038 2 0.423800 39.094673 14.502563 7.311901 # 2 HOH +3115 1039 1 -0.847600 13.179396 17.676867 35.758816 # 1 HOH +3116 1039 2 0.423800 14.054508 17.620815 35.316303 # 2 HOH +3117 1039 2 0.423800 13.335478 17.250765 36.720146 # 2 HOH +3118 1040 1 -0.847600 11.186835 35.038425 3.161231 # 1 HOH +3119 1040 2 0.423800 10.729806 34.957878 2.240497 # 2 HOH +3120 1040 2 0.423800 11.517519 34.069778 3.157546 # 2 HOH +3121 1041 1 -0.847600 17.116478 44.355640 32.175541 # 1 HOH +3122 1041 2 0.423800 17.863613 43.872608 31.706272 # 2 HOH +3123 1041 2 0.423800 17.714338 44.954041 32.719189 # 2 HOH +3124 1042 1 -0.847600 13.487491 38.069824 40.497944 # 1 HOH +3125 1042 2 0.423800 14.413928 38.523663 40.600201 # 2 HOH +3126 1042 2 0.423800 13.624402 37.667809 39.542641 # 2 HOH +3127 1043 1 -0.847600 11.896097 42.820759 3.644609 # 1 HOH +3128 1043 2 0.423800 12.568976 43.014812 4.422276 # 2 HOH +3129 1043 2 0.423800 12.033313 43.656433 3.069797 # 2 HOH +3130 1044 1 -0.847600 8.075140 17.746006 19.058273 # 1 HOH +3131 1044 2 0.423800 7.401322 16.946117 18.876392 # 2 HOH +3132 1044 2 0.423800 7.368570 18.454100 19.438774 # 2 HOH +3133 1045 1 -0.847600 4.549746 20.960108 36.038464 # 1 HOH +3134 1045 2 0.423800 4.894430 20.898293 36.996906 # 2 HOH +3135 1045 2 0.423800 5.200117 21.465752 35.472057 # 2 HOH +3136 1046 1 -0.847600 34.508255 0.626918 14.931386 # 1 HOH +3137 1046 2 0.423800 35.198933 1.249378 15.355308 # 2 HOH +3138 1046 2 0.423800 33.990734 0.462785 15.768759 # 2 HOH +3139 1047 1 -0.847600 18.693039 22.637152 19.415947 # 1 HOH +3140 1047 2 0.423800 19.590000 22.222921 19.579964 # 2 HOH +3141 1047 2 0.423800 18.042316 21.822023 19.693516 # 2 HOH +3142 1048 1 -0.847600 3.186623 26.796337 28.333473 # 1 HOH +3143 1048 2 0.423800 2.556558 27.625542 28.516447 # 2 HOH +3144 1048 2 0.423800 2.656297 25.993298 27.975294 # 2 HOH +3145 1049 1 -0.847600 36.699867 32.778965 36.236401 # 1 HOH +3146 1049 2 0.423800 35.926838 33.103977 36.947102 # 2 HOH +3147 1049 2 0.423800 37.149021 33.567406 35.917046 # 2 HOH +3148 1050 1 -0.847600 36.778030 43.457150 30.186041 # 1 HOH +3149 1050 2 0.423800 37.478104 43.287151 29.664541 # 2 HOH +3150 1050 2 0.423800 36.598454 44.460430 30.135609 # 2 HOH +3151 1051 1 -0.847600 27.669008 8.996420 24.628662 # 1 HOH +3152 1051 2 0.423800 27.439350 9.659971 25.293859 # 2 HOH +3153 1051 2 0.423800 28.054453 9.539215 23.891735 # 2 HOH +3154 1052 1 -0.847600 20.284107 0.687563 12.747128 # 1 HOH +3155 1052 2 0.423800 19.281845 0.774836 12.879539 # 2 HOH +3156 1052 2 0.423800 20.504000 -0.242650 13.018303 # 2 HOH +3157 1053 1 -0.847600 24.410349 21.382286 7.505150 # 1 HOH +3158 1053 2 0.423800 24.133602 21.581169 8.419202 # 2 HOH +3159 1053 2 0.423800 25.288263 21.017138 7.646101 # 2 HOH +3160 1054 1 -0.847600 17.573374 14.224314 2.798689 # 1 HOH +3161 1054 2 0.423800 18.112843 14.627685 3.580740 # 2 HOH +3162 1054 2 0.423800 17.518114 14.944556 2.075324 # 2 HOH +3163 1055 1 -0.847600 19.839102 9.164424 28.966234 # 1 HOH +3164 1055 2 0.423800 19.135487 8.520329 28.735334 # 2 HOH +3165 1055 2 0.423800 20.324766 9.291465 28.019302 # 2 HOH +3166 1056 1 -0.847600 39.289402 20.670910 19.025486 # 1 HOH +3167 1056 2 0.423800 38.813316 21.506895 19.482454 # 2 HOH +3168 1056 2 0.423800 39.960186 20.982687 18.370573 # 2 HOH +3169 1057 1 -0.847600 38.996361 36.799286 32.632450 # 1 HOH +3170 1057 2 0.423800 39.494476 36.497261 31.705564 # 2 HOH +3171 1057 2 0.423800 38.123314 36.299007 32.597073 # 2 HOH +3172 1058 1 -0.847600 3.320298 29.124088 40.421200 # 1 HOH +3173 1058 2 0.423800 3.350580 28.191912 40.008453 # 2 HOH +3174 1058 2 0.423800 3.809806 29.666597 39.740082 # 2 HOH +3175 1059 1 -0.847600 8.413723 18.510990 35.449120 # 1 HOH +3176 1059 2 0.423800 8.208405 18.940201 34.531544 # 2 HOH +3177 1059 2 0.423800 8.012794 18.976215 36.223354 # 2 HOH +3178 1060 1 -0.847600 3.230253 18.116833 35.111717 # 1 HOH +3179 1060 2 0.423800 3.398567 18.951740 34.694138 # 2 HOH +3180 1060 2 0.423800 4.067449 17.810957 35.567917 # 2 HOH +3181 1061 1 -0.847600 30.828129 42.339367 16.831606 # 1 HOH +3182 1061 2 0.423800 31.160896 42.099194 15.961186 # 2 HOH +3183 1061 2 0.423800 29.960032 42.725368 16.602160 # 2 HOH +3184 1062 1 -0.847600 2.712855 42.084526 0.929863 # 1 HOH +3185 1062 2 0.423800 1.802329 42.062801 1.299673 # 2 HOH +3186 1062 2 0.423800 2.646434 42.909561 0.408878 # 2 HOH +3187 1063 1 -0.847600 25.290430 41.138813 31.801554 # 1 HOH +3188 1063 2 0.423800 24.790392 41.996799 32.025307 # 2 HOH +3189 1063 2 0.423800 25.902994 40.837086 32.626617 # 2 HOH +3190 1064 1 -0.847600 20.108282 20.752127 23.868153 # 1 HOH +3191 1064 2 0.423800 19.653635 20.142427 24.556360 # 2 HOH +3192 1064 2 0.423800 20.207083 20.136322 23.161568 # 2 HOH +3193 1065 1 -0.847600 8.453352 36.560291 9.035659 # 1 HOH +3194 1065 2 0.423800 9.098426 37.202480 8.677585 # 2 HOH +3195 1065 2 0.423800 7.994705 36.188786 8.208658 # 2 HOH +3196 1066 1 -0.847600 30.448620 24.413670 25.459877 # 1 HOH +3197 1066 2 0.423800 30.261013 23.665913 26.033392 # 2 HOH +3198 1066 2 0.423800 29.594107 24.567471 24.832678 # 2 HOH +3199 1067 1 -0.847600 40.597878 4.088022 41.010979 # 1 HOH +3200 1067 2 0.423800 39.933201 4.433177 40.330288 # 2 HOH +3201 1067 2 0.423800 40.732922 4.802730 41.759068 # 2 HOH +3202 1068 1 -0.847600 20.833532 42.337513 28.803049 # 1 HOH +3203 1068 2 0.423800 21.522541 42.824459 29.197508 # 2 HOH +3204 1068 2 0.423800 21.371771 41.421108 28.541712 # 2 HOH +3205 1069 1 -0.847600 43.665367 23.020124 30.158939 # 1 HOH +3206 1069 2 0.423800 43.419369 22.725260 31.048870 # 2 HOH +3207 1069 2 0.423800 42.771664 22.988932 29.662432 # 2 HOH +3208 1070 1 -0.847600 9.367434 16.976170 23.301949 # 1 HOH +3209 1070 2 0.423800 9.118471 16.449659 22.444628 # 2 HOH +3210 1070 2 0.423800 8.714675 16.625895 23.940384 # 2 HOH +3211 1071 1 -0.847600 2.486230 19.874399 13.675564 # 1 HOH +3212 1071 2 0.423800 2.448167 19.157545 14.254818 # 2 HOH +3213 1071 2 0.423800 1.697803 20.402607 13.930611 # 2 HOH +3214 1072 1 -0.847600 18.984701 15.196684 5.011689 # 1 HOH +3215 1072 2 0.423800 18.939793 15.923001 5.693845 # 2 HOH +3216 1072 2 0.423800 19.917362 15.418616 4.745424 # 2 HOH +3217 1073 1 -0.847600 2.046794 43.894699 23.953764 # 1 HOH +3218 1073 2 0.423800 2.746571 44.613556 24.363409 # 2 HOH +3219 1073 2 0.423800 1.649022 43.402267 24.736343 # 2 HOH +3220 1074 1 -0.847600 39.421829 42.673798 12.506248 # 1 HOH +3221 1074 2 0.423800 38.731014 42.828732 13.123532 # 2 HOH +3222 1074 2 0.423800 40.113804 43.269505 12.900967 # 2 HOH +3223 1075 1 -0.847600 12.449116 44.960175 2.038919 # 1 HOH +3224 1075 2 0.423800 13.160668 44.699753 1.487797 # 2 HOH +3225 1075 2 0.423800 12.611282 45.890450 2.402997 # 2 HOH +3226 1076 1 -0.847600 39.439274 40.214081 8.874482 # 1 HOH +3227 1076 2 0.423800 40.145367 39.612453 9.283390 # 2 HOH +3228 1076 2 0.423800 38.707672 40.446842 9.521063 # 2 HOH +3229 1077 1 -0.847600 23.204487 24.821033 6.113327 # 1 HOH +3230 1077 2 0.423800 22.563883 25.455744 5.665472 # 2 HOH +3231 1077 2 0.423800 23.174791 23.938543 5.783697 # 2 HOH +3232 1078 1 -0.847600 15.564368 18.891886 19.232567 # 1 HOH +3233 1078 2 0.423800 14.759151 19.400723 18.924677 # 2 HOH +3234 1078 2 0.423800 15.186187 18.020041 19.608112 # 2 HOH +3235 1079 1 -0.847600 0.098189 26.555410 29.408159 # 1 HOH +3236 1079 2 0.423800 0.213080 26.366436 30.411875 # 2 HOH +3237 1079 2 0.423800 -0.534966 27.282585 29.468420 # 2 HOH +3238 1080 1 -0.847600 21.341061 3.674962 26.924566 # 1 HOH +3239 1080 2 0.423800 22.310009 3.993026 27.106901 # 2 HOH +3240 1080 2 0.423800 20.668007 4.322454 27.232986 # 2 HOH +3241 1081 1 -0.847600 38.272373 5.626174 21.211660 # 1 HOH +3242 1081 2 0.423800 37.430222 6.214890 21.300827 # 2 HOH +3243 1081 2 0.423800 38.990505 6.073149 21.727287 # 2 HOH +3244 1082 1 -0.847600 19.635553 16.334862 26.648815 # 1 HOH +3245 1082 2 0.423800 18.905800 16.038834 25.953419 # 2 HOH +3246 1082 2 0.423800 19.309298 17.207720 26.933748 # 2 HOH +3247 1083 1 -0.847600 35.464386 28.341791 16.864534 # 1 HOH +3248 1083 2 0.423800 35.188507 27.335428 16.665203 # 2 HOH +3249 1083 2 0.423800 34.762856 28.623457 17.570763 # 2 HOH +3250 1084 1 -0.847600 31.889490 18.806240 24.116848 # 1 HOH +3251 1084 2 0.423800 32.531231 19.535866 24.175083 # 2 HOH +3252 1084 2 0.423800 32.082512 18.239595 24.893215 # 2 HOH +3253 1085 1 -0.847600 22.209452 17.651695 7.339454 # 1 HOH +3254 1085 2 0.423800 21.235903 17.328880 7.416888 # 2 HOH +3255 1085 2 0.423800 22.662117 17.011930 6.705649 # 2 HOH +3256 1086 1 -0.847600 30.395681 44.133694 9.354646 # 1 HOH +3257 1086 2 0.423800 29.595163 43.986275 9.935677 # 2 HOH +3258 1086 2 0.423800 30.337807 45.128414 9.194884 # 2 HOH +3259 1087 1 -0.847600 19.039244 9.909552 24.920366 # 1 HOH +3260 1087 2 0.423800 19.382208 10.811244 25.230745 # 2 HOH +3261 1087 2 0.423800 19.743366 9.316233 25.279877 # 2 HOH +3262 1088 1 -0.847600 39.336983 6.901156 6.798596 # 1 HOH +3263 1088 2 0.423800 38.446339 6.513684 6.950309 # 2 HOH +3264 1088 2 0.423800 39.879814 6.719848 7.577179 # 2 HOH +3265 1089 1 -0.847600 26.543835 26.802916 19.593744 # 1 HOH +3266 1089 2 0.423800 26.723577 26.439257 18.697750 # 2 HOH +3267 1089 2 0.423800 27.340042 26.573675 20.125292 # 2 HOH +3268 1090 1 -0.847600 37.629738 33.546982 41.597237 # 1 HOH +3269 1090 2 0.423800 36.984463 33.003235 42.189400 # 2 HOH +3270 1090 2 0.423800 38.482155 33.595280 42.150410 # 2 HOH +3271 1091 1 -0.847600 33.286076 33.338474 12.441614 # 1 HOH +3272 1091 2 0.423800 32.463142 32.842018 12.759418 # 2 HOH +3273 1091 2 0.423800 33.952213 32.534435 12.175476 # 2 HOH +3274 1092 1 -0.847600 -0.324565 0.416627 6.748159 # 1 HOH +3275 1092 2 0.423800 0.212573 -0.297376 6.373700 # 2 HOH +3276 1092 2 0.423800 -0.366447 0.156232 7.752602 # 2 HOH +3277 1093 1 -0.847600 8.847676 8.734465 15.800951 # 1 HOH +3278 1093 2 0.423800 8.215344 9.495697 16.037224 # 2 HOH +3279 1093 2 0.423800 9.529979 9.178029 15.174775 # 2 HOH +3280 1094 1 -0.847600 36.892101 36.720879 19.649199 # 1 HOH +3281 1094 2 0.423800 36.600761 37.029823 20.563879 # 2 HOH +3282 1094 2 0.423800 36.311993 37.227879 18.954245 # 2 HOH +3283 1095 1 -0.847600 8.074487 33.582207 27.048428 # 1 HOH +3284 1095 2 0.423800 8.968728 33.105396 27.030626 # 2 HOH +3285 1095 2 0.423800 7.509862 33.245731 26.250708 # 2 HOH +3286 1096 1 -0.847600 35.475231 34.477093 15.628140 # 1 HOH +3287 1096 2 0.423800 35.556549 34.012459 16.482403 # 2 HOH +3288 1096 2 0.423800 34.516476 34.631691 15.743137 # 2 HOH +3289 1097 1 -0.847600 34.463493 2.844820 1.798640 # 1 HOH +3290 1097 2 0.423800 35.378883 3.194589 1.560757 # 2 HOH +3291 1097 2 0.423800 34.630970 2.285135 2.546006 # 2 HOH +3292 1098 1 -0.847600 5.630463 19.311010 19.028805 # 1 HOH +3293 1098 2 0.423800 5.999378 20.176029 18.702503 # 2 HOH +3294 1098 2 0.423800 5.482723 18.846981 18.158268 # 2 HOH +3295 1099 1 -0.847600 24.273350 37.019905 40.258884 # 1 HOH +3296 1099 2 0.423800 24.432945 36.614468 39.391937 # 2 HOH +3297 1099 2 0.423800 23.246500 37.106491 40.243435 # 2 HOH +3298 1100 1 -0.847600 23.782909 20.389969 30.777039 # 1 HOH +3299 1100 2 0.423800 23.904152 20.879313 29.932049 # 2 HOH +3300 1100 2 0.423800 24.652323 20.055727 31.078928 # 2 HOH +3301 1101 1 -0.847600 26.622091 3.696316 32.901859 # 1 HOH +3302 1101 2 0.423800 25.633471 3.594947 33.263016 # 2 HOH +3303 1101 2 0.423800 26.476213 4.626878 32.434067 # 2 HOH +3304 1102 1 -0.847600 22.799946 1.126198 19.121899 # 1 HOH +3305 1102 2 0.423800 22.108213 0.491183 19.037909 # 2 HOH +3306 1102 2 0.423800 23.568054 0.626495 19.079252 # 2 HOH +3307 1103 1 -0.847600 -0.162715 25.975924 3.417127 # 1 HOH +3308 1103 2 0.423800 0.471100 26.551317 4.022225 # 2 HOH +3309 1103 2 0.423800 -0.787901 26.678137 3.140123 # 2 HOH +3310 1104 1 -0.847600 8.953565 23.082140 33.502403 # 1 HOH +3311 1104 2 0.423800 8.975549 22.593550 32.653038 # 2 HOH +3312 1104 2 0.423800 9.550971 23.847950 33.242043 # 2 HOH +3313 1105 1 -0.847600 5.778471 44.300358 19.942949 # 1 HOH +3314 1105 2 0.423800 6.293272 44.331478 19.014944 # 2 HOH +3315 1105 2 0.423800 6.418454 43.941196 20.693583 # 2 HOH +3316 1106 1 -0.847600 1.865735 17.230278 32.860783 # 1 HOH +3317 1106 2 0.423800 2.354085 17.413076 33.712906 # 2 HOH +3318 1106 2 0.423800 1.070477 16.608711 33.169804 # 2 HOH +3319 1107 1 -0.847600 32.557667 28.066532 17.871716 # 1 HOH +3320 1107 2 0.423800 32.895306 27.198454 18.072248 # 2 HOH +3321 1107 2 0.423800 32.534466 28.589056 18.849308 # 2 HOH +3322 1108 1 -0.847600 42.854164 30.027803 4.542881 # 1 HOH +3323 1108 2 0.423800 42.952835 31.027498 4.771636 # 2 HOH +3324 1108 2 0.423800 41.932209 29.721460 5.047703 # 2 HOH +3325 1109 1 -0.847600 12.530330 28.039640 1.443372 # 1 HOH +3326 1109 2 0.423800 11.958838 28.166250 2.176708 # 2 HOH +3327 1109 2 0.423800 13.354188 28.547155 1.662230 # 2 HOH +3328 1110 1 -0.847600 40.785057 -0.108605 40.911652 # 1 HOH +3329 1110 2 0.423800 40.891060 -1.089949 40.925690 # 2 HOH +3330 1110 2 0.423800 39.866005 0.125186 41.270782 # 2 HOH +3331 1111 1 -0.847600 2.786437 25.715183 24.096354 # 1 HOH +3332 1111 2 0.423800 2.591912 25.077860 23.355288 # 2 HOH +3333 1111 2 0.423800 3.786710 25.796404 24.028202 # 2 HOH +3334 1112 1 -0.847600 24.981186 12.076077 39.966694 # 1 HOH +3335 1112 2 0.423800 24.233362 11.661384 40.555946 # 2 HOH +3336 1112 2 0.423800 24.978085 11.505790 39.282860 # 2 HOH +3337 1113 1 -0.847600 1.768585 33.988850 26.200567 # 1 HOH +3338 1113 2 0.423800 2.016007 33.608173 27.185448 # 2 HOH +3339 1113 2 0.423800 1.876574 34.965031 26.331120 # 2 HOH +3340 1114 1 -0.847600 12.522252 14.417961 10.344566 # 1 HOH +3341 1114 2 0.423800 13.360003 14.384145 10.920015 # 2 HOH +3342 1114 2 0.423800 11.947230 15.089462 10.757892 # 2 HOH +3343 1115 1 -0.847600 19.199873 5.611351 37.057419 # 1 HOH +3344 1115 2 0.423800 18.469208 5.000751 37.005909 # 2 HOH +3345 1115 2 0.423800 18.929142 6.077187 37.843922 # 2 HOH +3346 1116 1 -0.847600 21.445112 40.523148 9.454498 # 1 HOH +3347 1116 2 0.423800 20.840403 40.625015 8.635498 # 2 HOH +3348 1116 2 0.423800 22.376305 40.295860 9.104291 # 2 HOH +3349 1117 1 -0.847600 20.142776 24.927467 2.005421 # 1 HOH +3350 1117 2 0.423800 20.826944 24.631952 1.374744 # 2 HOH +3351 1117 2 0.423800 19.832962 24.231064 2.483547 # 2 HOH +3352 1118 1 -0.847600 29.883324 5.420051 27.335468 # 1 HOH +3353 1118 2 0.423800 29.934404 6.255440 26.886072 # 2 HOH +3354 1118 2 0.423800 30.196705 5.487764 28.216488 # 2 HOH +3355 1119 1 -0.847600 24.613087 39.733562 25.901329 # 1 HOH +3356 1119 2 0.423800 23.730894 39.352295 25.652655 # 2 HOH +3357 1119 2 0.423800 24.658314 39.725906 26.851404 # 2 HOH +3358 1120 1 -0.847600 29.873014 1.877595 9.126511 # 1 HOH +3359 1120 2 0.423800 30.352283 2.778189 9.076153 # 2 HOH +3360 1120 2 0.423800 29.168476 1.904867 8.386351 # 2 HOH +3361 1121 1 -0.847600 0.704429 27.890789 26.051889 # 1 HOH +3362 1121 2 0.423800 1.033553 28.553377 26.764366 # 2 HOH +3363 1121 2 0.423800 1.141364 28.028791 25.144135 # 2 HOH +3364 1122 1 -0.847600 29.482712 16.390209 20.980644 # 1 HOH +3365 1122 2 0.423800 29.675671 17.405525 21.023596 # 2 HOH +3366 1122 2 0.423800 30.060886 16.022009 21.730703 # 2 HOH +3367 1123 1 -0.847600 37.178638 19.837744 32.662323 # 1 HOH +3368 1123 2 0.423800 36.869274 20.413246 31.868891 # 2 HOH +3369 1123 2 0.423800 37.713284 20.510553 33.244087 # 2 HOH +3370 1124 1 -0.847600 0.027279 17.913696 22.476437 # 1 HOH +3371 1124 2 0.423800 -0.898197 18.040100 22.755905 # 2 HOH +3372 1124 2 0.423800 0.431173 18.742678 22.850710 # 2 HOH +3373 1125 1 -0.847600 6.620666 23.535303 15.612995 # 1 HOH +3374 1125 2 0.423800 6.470198 23.096800 14.771821 # 2 HOH +3375 1125 2 0.423800 7.430929 24.055140 15.332036 # 2 HOH +3376 1126 1 -0.847600 11.443328 31.221270 43.001614 # 1 HOH +3377 1126 2 0.423800 11.964122 32.086430 42.920502 # 2 HOH +3378 1126 2 0.423800 10.779428 31.346479 42.252617 # 2 HOH +3379 1127 1 -0.847600 32.491066 43.342834 39.051453 # 1 HOH +3380 1127 2 0.423800 31.713898 43.904053 39.413982 # 2 HOH +3381 1127 2 0.423800 32.640221 43.771431 38.206322 # 2 HOH +3382 1128 1 -0.847600 37.251640 11.987135 20.767242 # 1 HOH +3383 1128 2 0.423800 38.118141 12.144374 21.248024 # 2 HOH +3384 1128 2 0.423800 37.390808 12.203453 19.799618 # 2 HOH +3385 1129 1 -0.847600 21.869287 30.997778 14.219172 # 1 HOH +3386 1129 2 0.423800 22.649717 30.548483 14.755211 # 2 HOH +3387 1129 2 0.423800 21.790531 31.848219 14.748765 # 2 HOH +3388 1130 1 -0.847600 4.280568 39.751652 9.882479 # 1 HOH +3389 1130 2 0.423800 4.811744 39.083149 10.509531 # 2 HOH +3390 1130 2 0.423800 4.555754 39.388653 8.994777 # 2 HOH +3391 1131 1 -0.847600 36.136738 6.884152 30.106342 # 1 HOH +3392 1131 2 0.423800 36.484703 6.004356 29.969336 # 2 HOH +3393 1131 2 0.423800 35.158989 6.790689 30.177967 # 2 HOH +3394 1132 1 -0.847600 42.001213 44.158726 2.407455 # 1 HOH +3395 1132 2 0.423800 41.605927 44.418816 3.327250 # 2 HOH +3396 1132 2 0.423800 42.834873 44.886871 2.242973 # 2 HOH +3397 1133 1 -0.847600 13.694671 30.637609 34.318478 # 1 HOH +3398 1133 2 0.423800 13.045801 30.085627 34.919510 # 2 HOH +3399 1133 2 0.423800 13.364485 30.419214 33.478085 # 2 HOH +3400 1134 1 -0.847600 8.410631 6.040744 15.164846 # 1 HOH +3401 1134 2 0.423800 7.550433 5.733061 15.530123 # 2 HOH +3402 1134 2 0.423800 8.342455 7.045880 15.524483 # 2 HOH +3403 1135 1 -0.847600 10.338418 1.237891 30.150961 # 1 HOH +3404 1135 2 0.423800 10.237328 1.676315 31.010695 # 2 HOH +3405 1135 2 0.423800 11.067542 1.815253 29.773914 # 2 HOH +3406 1136 1 -0.847600 18.411064 16.610847 30.712879 # 1 HOH +3407 1136 2 0.423800 17.835289 15.900547 31.193102 # 2 HOH +3408 1136 2 0.423800 19.086166 16.158407 30.124617 # 2 HOH +3409 1137 1 -0.847600 26.260403 9.114416 14.117474 # 1 HOH +3410 1137 2 0.423800 25.493231 9.729958 13.775722 # 2 HOH +3411 1137 2 0.423800 26.023737 8.164671 14.204531 # 2 HOH +3412 1138 1 -0.847600 38.402779 6.462772 0.843312 # 1 HOH +3413 1138 2 0.423800 37.880829 5.628160 0.988039 # 2 HOH +3414 1138 2 0.423800 38.381203 7.039968 1.640673 # 2 HOH +3415 1139 1 -0.847600 10.725572 35.601952 11.578223 # 1 HOH +3416 1139 2 0.423800 10.873582 34.962303 12.345313 # 2 HOH +3417 1139 2 0.423800 10.179804 35.083237 10.977745 # 2 HOH +3418 1140 1 -0.847600 29.660707 21.009380 18.187359 # 1 HOH +3419 1140 2 0.423800 29.401123 21.030712 19.244926 # 2 HOH +3420 1140 2 0.423800 28.790239 21.422483 17.697868 # 2 HOH +3421 1141 1 -0.847600 2.034678 38.995331 11.289322 # 1 HOH +3422 1141 2 0.423800 1.846317 39.132008 12.312128 # 2 HOH +3423 1141 2 0.423800 2.438931 39.840733 10.971271 # 2 HOH +3424 1142 1 -0.847600 42.399288 33.066662 26.584145 # 1 HOH +3425 1142 2 0.423800 43.212681 33.468319 26.273138 # 2 HOH +3426 1142 2 0.423800 42.720299 32.450977 27.291786 # 2 HOH +3427 1143 1 -0.847600 13.879452 15.214453 1.726395 # 1 HOH +3428 1143 2 0.423800 14.496933 15.580586 2.511051 # 2 HOH +3429 1143 2 0.423800 13.050020 15.466482 2.178127 # 2 HOH +3430 1144 1 -0.847600 17.699228 9.175714 9.824419 # 1 HOH +3431 1144 2 0.423800 16.917738 9.718294 9.869152 # 2 HOH +3432 1144 2 0.423800 18.522898 9.830587 9.943691 # 2 HOH +3433 1145 1 -0.847600 39.904507 26.180084 1.702442 # 1 HOH +3434 1145 2 0.423800 38.866920 26.357399 1.602251 # 2 HOH +3435 1145 2 0.423800 40.389526 27.017767 1.950275 # 2 HOH +3436 1146 1 -0.847600 4.169024 6.874917 32.499382 # 1 HOH +3437 1146 2 0.423800 4.696152 7.492143 33.120049 # 2 HOH +3438 1146 2 0.423800 3.332620 6.948641 33.084721 # 2 HOH +3439 1147 1 -0.847600 11.705692 14.475177 21.186508 # 1 HOH +3440 1147 2 0.423800 12.307869 14.921280 20.488859 # 2 HOH +3441 1147 2 0.423800 11.852690 13.495695 21.127235 # 2 HOH +3442 1148 1 -0.847600 8.578037 30.277740 30.543694 # 1 HOH +3443 1148 2 0.423800 8.018173 30.356237 29.753248 # 2 HOH +3444 1148 2 0.423800 9.354434 29.824970 29.982449 # 2 HOH +3445 1149 1 -0.847600 39.672840 38.228600 37.938431 # 1 HOH +3446 1149 2 0.423800 39.740520 38.732750 37.064617 # 2 HOH +3447 1149 2 0.423800 40.362694 37.619949 37.931190 # 2 HOH +3448 1150 1 -0.847600 5.271541 17.213940 21.767281 # 1 HOH +3449 1150 2 0.423800 4.305057 17.314844 21.603834 # 2 HOH +3450 1150 2 0.423800 5.491464 17.182604 22.758137 # 2 HOH +3451 1151 1 -0.847600 1.901751 10.430772 29.193115 # 1 HOH +3452 1151 2 0.423800 1.891875 11.382131 29.627569 # 2 HOH +3453 1151 2 0.423800 2.527962 10.666368 28.410275 # 2 HOH +3454 1152 1 -0.847600 31.958548 23.140881 28.858438 # 1 HOH +3455 1152 2 0.423800 31.724806 24.081793 28.721523 # 2 HOH +3456 1152 2 0.423800 31.291517 22.770876 29.380764 # 2 HOH +3457 1153 1 -0.847600 33.101254 7.343026 0.377224 # 1 HOH +3458 1153 2 0.423800 33.400047 6.372087 0.466187 # 2 HOH +3459 1153 2 0.423800 33.887970 7.841294 0.389561 # 2 HOH +3460 1154 1 -0.847600 20.072432 29.980059 37.137756 # 1 HOH +3461 1154 2 0.423800 19.761782 29.049706 37.447048 # 2 HOH +3462 1154 2 0.423800 19.821318 30.589437 37.928192 # 2 HOH +3463 1155 1 -0.847600 26.319691 1.846423 29.545654 # 1 HOH +3464 1155 2 0.423800 27.059006 1.127364 29.768051 # 2 HOH +3465 1155 2 0.423800 25.985992 1.633218 28.638050 # 2 HOH +3466 1156 1 -0.847600 31.820206 26.648663 0.324957 # 1 HOH +3467 1156 2 0.423800 32.482811 27.501835 0.545691 # 2 HOH +3468 1156 2 0.423800 31.487688 26.347660 1.191854 # 2 HOH +3469 1157 1 -0.847600 37.976212 32.060299 13.115902 # 1 HOH +3470 1157 2 0.423800 37.526672 32.896179 12.835291 # 2 HOH +3471 1157 2 0.423800 38.751137 32.422916 13.717060 # 2 HOH +3472 1158 1 -0.847600 8.566824 11.279190 25.853216 # 1 HOH +3473 1158 2 0.423800 7.898777 10.607705 26.168821 # 2 HOH +3474 1158 2 0.423800 9.200562 10.668922 25.375853 # 2 HOH +3475 1159 1 -0.847600 3.414783 40.575092 28.297287 # 1 HOH +3476 1159 2 0.423800 3.256627 40.789486 27.388741 # 2 HOH +3477 1159 2 0.423800 4.118108 41.152035 28.649649 # 2 HOH +3478 1160 1 -0.847600 24.489464 1.388969 35.643555 # 1 HOH +3479 1160 2 0.423800 25.498186 1.255011 35.827465 # 2 HOH +3480 1160 2 0.423800 24.354700 2.296976 35.370403 # 2 HOH +3481 1161 1 -0.847600 17.644817 4.742373 24.737061 # 1 HOH +3482 1161 2 0.423800 18.060261 4.598545 23.821213 # 2 HOH +3483 1161 2 0.423800 16.701870 4.803405 24.612141 # 2 HOH +3484 1162 1 -0.847600 0.632802 8.711523 10.315956 # 1 HOH +3485 1162 2 0.423800 -0.357259 8.666536 10.344136 # 2 HOH +3486 1162 2 0.423800 0.965824 9.194387 9.545301 # 2 HOH +3487 1163 1 -0.847600 14.237039 19.329201 24.615097 # 1 HOH +3488 1163 2 0.423800 14.285980 20.117882 25.235218 # 2 HOH +3489 1163 2 0.423800 13.325390 18.942438 24.737215 # 2 HOH +3490 1164 1 -0.847600 12.771024 2.925247 14.407811 # 1 HOH +3491 1164 2 0.423800 12.913485 3.917219 14.231864 # 2 HOH +3492 1164 2 0.423800 11.835829 2.817880 14.804236 # 2 HOH +3493 1165 1 -0.847600 24.515985 27.988592 23.370314 # 1 HOH +3494 1165 2 0.423800 24.304090 27.446112 22.462225 # 2 HOH +3495 1165 2 0.423800 24.114708 28.858469 23.168139 # 2 HOH +3496 1166 1 -0.847600 14.191121 33.421314 22.649252 # 1 HOH +3497 1166 2 0.423800 13.285737 34.049229 22.551300 # 2 HOH +3498 1166 2 0.423800 13.906137 32.432037 22.504522 # 2 HOH +3499 1167 1 -0.847600 39.370499 29.275490 24.862558 # 1 HOH +3500 1167 2 0.423800 38.886982 28.600430 25.453838 # 2 HOH +3501 1167 2 0.423800 39.356472 28.608694 24.056864 # 2 HOH +3502 1168 1 -0.847600 7.262227 42.934628 21.867786 # 1 HOH +3503 1168 2 0.423800 7.872061 42.588352 21.092066 # 2 HOH +3504 1168 2 0.423800 7.969527 43.028347 22.587069 # 2 HOH +3505 1169 1 -0.847600 34.897705 4.171580 36.427330 # 1 HOH +3506 1169 2 0.423800 34.084698 4.626529 36.039551 # 2 HOH +3507 1169 2 0.423800 34.635132 3.167296 36.559994 # 2 HOH +3508 1170 1 -0.847600 11.015324 29.133593 29.648304 # 1 HOH +3509 1170 2 0.423800 11.073819 28.054316 29.604000 # 2 HOH +3510 1170 2 0.423800 11.455564 29.433475 28.690720 # 2 HOH +3511 1171 1 -0.847600 1.671624 24.111479 1.389652 # 1 HOH +3512 1171 2 0.423800 2.556934 23.782509 1.699104 # 2 HOH +3513 1171 2 0.423800 1.149003 23.265202 1.294062 # 2 HOH +3514 1172 1 -0.847600 26.058479 43.016224 34.886036 # 1 HOH +3515 1172 2 0.423800 25.959438 43.532124 34.067047 # 2 HOH +3516 1172 2 0.423800 26.815002 43.604191 35.260189 # 2 HOH +3517 1173 1 -0.847600 4.942102 41.381527 21.090902 # 1 HOH +3518 1173 2 0.423800 5.691491 41.863331 21.506174 # 2 HOH +3519 1173 2 0.423800 4.105657 41.924408 21.186270 # 2 HOH +3520 1174 1 -0.847600 35.539692 17.583727 11.419375 # 1 HOH +3521 1174 2 0.423800 35.814629 17.766157 10.429914 # 2 HOH +3522 1174 2 0.423800 35.525669 18.412489 11.840233 # 2 HOH +3523 1175 1 -0.847600 40.106663 16.213608 22.311504 # 1 HOH +3524 1175 2 0.423800 39.470886 15.677731 21.730593 # 2 HOH +3525 1175 2 0.423800 40.888042 15.529147 22.543015 # 2 HOH +3526 1176 1 -0.847600 37.104477 22.662264 17.897427 # 1 HOH +3527 1176 2 0.423800 37.207096 22.635096 18.867395 # 2 HOH +3528 1176 2 0.423800 36.041874 22.663822 17.763752 # 2 HOH +3529 1177 1 -0.847600 4.152251 12.220344 7.404376 # 1 HOH +3530 1177 2 0.423800 3.595307 13.031626 7.743682 # 2 HOH +3531 1177 2 0.423800 5.054093 12.661866 7.023004 # 2 HOH +3532 1178 1 -0.847600 12.236941 5.540421 12.484189 # 1 HOH +3533 1178 2 0.423800 11.504922 5.185372 13.101385 # 2 HOH +3534 1178 2 0.423800 13.027716 5.104800 12.910654 # 2 HOH +3535 1179 1 -0.847600 28.053717 3.534014 11.090046 # 1 HOH +3536 1179 2 0.423800 28.241497 2.965131 10.245067 # 2 HOH +3537 1179 2 0.423800 27.414480 4.137570 10.728969 # 2 HOH +3538 1180 1 -0.847600 24.760702 25.923176 42.801254 # 1 HOH +3539 1180 2 0.423800 25.591917 25.859098 43.247448 # 2 HOH +3540 1180 2 0.423800 24.839817 25.524143 41.883072 # 2 HOH +3541 1181 1 -0.847600 23.925314 5.656938 39.662693 # 1 HOH +3542 1181 2 0.423800 22.940260 5.586829 39.669891 # 2 HOH +3543 1181 2 0.423800 24.261621 4.822219 40.074409 # 2 HOH +3544 1182 1 -0.847600 17.701929 22.059368 41.092876 # 1 HOH +3545 1182 2 0.423800 17.842812 22.842091 41.717621 # 2 HOH +3546 1182 2 0.423800 16.749687 22.191740 40.722599 # 2 HOH +3547 1183 1 -0.847600 29.896545 22.676567 6.645540 # 1 HOH +3548 1183 2 0.423800 30.768261 22.188791 6.743197 # 2 HOH +3549 1183 2 0.423800 29.396751 22.220175 5.911743 # 2 HOH +3550 1184 1 -0.847600 30.380104 25.276026 18.813049 # 1 HOH +3551 1184 2 0.423800 30.537928 25.930010 19.591961 # 2 HOH +3552 1184 2 0.423800 29.573792 25.775972 18.395576 # 2 HOH +3553 1185 1 -0.847600 23.319712 31.028461 5.806213 # 1 HOH +3554 1185 2 0.423800 22.246296 31.067474 5.928184 # 2 HOH +3555 1185 2 0.423800 23.612967 30.137533 5.430860 # 2 HOH +3556 1186 1 -0.847600 7.420988 6.316438 25.744825 # 1 HOH +3557 1186 2 0.423800 8.067981 5.670113 26.321224 # 2 HOH +3558 1186 2 0.423800 6.476649 5.984126 25.949606 # 2 HOH +3559 1187 1 -0.847600 3.803807 13.156876 22.808182 # 1 HOH +3560 1187 2 0.423800 3.793247 12.275095 22.201559 # 2 HOH +3561 1187 2 0.423800 4.795956 13.286513 22.974552 # 2 HOH +3562 1188 1 -0.847600 11.945850 8.849646 5.030710 # 1 HOH +3563 1188 2 0.423800 11.288027 8.160762 5.220728 # 2 HOH +3564 1188 2 0.423800 11.983270 9.057770 6.060878 # 2 HOH +3565 1189 1 -0.847600 32.217083 17.838911 12.713988 # 1 HOH +3566 1189 2 0.423800 32.507214 17.094095 13.355927 # 2 HOH +3567 1189 2 0.423800 31.608664 17.444963 12.017654 # 2 HOH +3568 1190 1 -0.847600 6.962133 5.556798 30.878994 # 1 HOH +3569 1190 2 0.423800 6.257761 5.679724 31.633608 # 2 HOH +3570 1190 2 0.423800 7.289874 6.503933 30.502087 # 2 HOH +3571 1191 1 -0.847600 16.760132 0.494005 28.260292 # 1 HOH +3572 1191 2 0.423800 17.673986 0.865474 28.614122 # 2 HOH +3573 1191 2 0.423800 16.619265 1.137704 27.441540 # 2 HOH +3574 1192 1 -0.847600 35.585251 33.022511 32.107086 # 1 HOH +3575 1192 2 0.423800 35.123028 32.318298 31.460135 # 2 HOH +3576 1192 2 0.423800 35.393242 32.601864 33.063442 # 2 HOH +3577 1193 1 -0.847600 21.575237 8.679557 5.352674 # 1 HOH +3578 1193 2 0.423800 22.591274 8.674603 5.347692 # 2 HOH +3579 1193 2 0.423800 21.265238 8.392284 6.227348 # 2 HOH +3580 1194 1 -0.847600 28.892815 26.372145 34.777828 # 1 HOH +3581 1194 2 0.423800 28.841703 27.099096 34.077328 # 2 HOH +3582 1194 2 0.423800 28.020723 26.496717 35.350849 # 2 HOH +3583 1195 1 -0.847600 24.338108 25.464750 17.217581 # 1 HOH +3584 1195 2 0.423800 25.279608 25.316355 17.463661 # 2 HOH +3585 1195 2 0.423800 24.114088 24.957729 16.414555 # 2 HOH +3586 1196 1 -0.847600 34.344700 24.585730 22.054525 # 1 HOH +3587 1196 2 0.423800 34.699974 23.714937 21.926893 # 2 HOH +3588 1196 2 0.423800 33.430420 24.436085 22.359568 # 2 HOH +3589 1197 1 -0.847600 7.613232 12.655055 29.862148 # 1 HOH +3590 1197 2 0.423800 8.520724 12.381194 29.453203 # 2 HOH +3591 1197 2 0.423800 7.125797 11.820357 29.950319 # 2 HOH +3592 1198 1 -0.847600 19.191446 1.054752 33.454052 # 1 HOH +3593 1198 2 0.423800 18.697319 2.040155 33.486652 # 2 HOH +3594 1198 2 0.423800 20.050529 1.077920 34.100708 # 2 HOH +3595 1199 1 -0.847600 28.248297 21.464561 2.296438 # 1 HOH +3596 1199 2 0.423800 28.376722 22.244541 2.819491 # 2 HOH +3597 1199 2 0.423800 27.516474 20.914135 2.784815 # 2 HOH +3598 1200 1 -0.847600 38.197620 29.824392 21.417799 # 1 HOH +3599 1200 2 0.423800 39.222298 29.583546 21.619453 # 2 HOH +3600 1200 2 0.423800 37.867477 29.426483 20.498892 # 2 HOH +3601 1201 1 -0.847600 17.508497 35.875671 41.461510 # 1 HOH +3602 1201 2 0.423800 18.193073 35.486004 41.996849 # 2 HOH +3603 1201 2 0.423800 17.310026 36.763023 41.753925 # 2 HOH +3604 1202 1 -0.847600 31.901865 2.612082 0.934846 # 1 HOH +3605 1202 2 0.423800 31.406288 2.828493 1.870470 # 2 HOH +3606 1202 2 0.423800 32.796936 2.990125 1.195076 # 2 HOH +3607 1203 1 -0.847600 36.559052 15.441010 42.047153 # 1 HOH +3608 1203 2 0.423800 36.367641 16.422207 42.217995 # 2 HOH +3609 1203 2 0.423800 36.776596 15.487908 41.115391 # 2 HOH +3610 1204 1 -0.847600 41.579033 24.656147 10.851370 # 1 HOH +3611 1204 2 0.423800 41.919708 24.493664 11.720783 # 2 HOH +3612 1204 2 0.423800 41.535675 23.809996 10.293110 # 2 HOH +3613 1205 1 -0.847600 27.932745 13.318960 7.656458 # 1 HOH +3614 1205 2 0.423800 28.329903 12.720415 6.941485 # 2 HOH +3615 1205 2 0.423800 26.940392 13.448721 7.446120 # 2 HOH +3616 1206 1 -0.847600 2.923614 19.441568 16.874151 # 1 HOH +3617 1206 2 0.423800 2.994945 20.408539 16.509111 # 2 HOH +3618 1206 2 0.423800 3.831257 19.030609 16.495300 # 2 HOH +3619 1207 1 -0.847600 25.051805 31.662878 13.717247 # 1 HOH +3620 1207 2 0.423800 25.224274 31.388803 14.687509 # 2 HOH +3621 1207 2 0.423800 24.177322 31.274565 13.442711 # 2 HOH +3622 1208 1 -0.847600 21.313858 13.929315 9.289082 # 1 HOH +3623 1208 2 0.423800 21.624954 13.064795 9.002538 # 2 HOH +3624 1208 2 0.423800 21.760725 14.075560 10.146770 # 2 HOH +3625 1209 1 -0.847600 2.699187 8.885340 11.961694 # 1 HOH +3626 1209 2 0.423800 2.080443 8.546560 11.236790 # 2 HOH +3627 1209 2 0.423800 3.007086 9.803926 11.781162 # 2 HOH +3628 1210 1 -0.847600 15.242230 29.548786 16.591064 # 1 HOH +3629 1210 2 0.423800 16.181248 29.796200 16.789404 # 2 HOH +3630 1210 2 0.423800 15.219892 28.528406 16.329243 # 2 HOH +3631 1211 1 -0.847600 24.226059 13.266086 2.525590 # 1 HOH +3632 1211 2 0.423800 23.198412 13.483264 2.344619 # 2 HOH +3633 1211 2 0.423800 24.080595 12.330846 2.301514 # 2 HOH +3634 1212 1 -0.847600 2.237568 34.695648 12.107012 # 1 HOH +3635 1212 2 0.423800 2.573582 35.004475 11.302126 # 2 HOH +3636 1212 2 0.423800 2.726317 33.885002 12.429481 # 2 HOH +3637 1213 1 -0.847600 0.712371 6.232833 38.231869 # 1 HOH +3638 1213 2 0.423800 -0.286154 6.241321 38.570286 # 2 HOH +3639 1213 2 0.423800 0.908295 5.323824 37.831570 # 2 HOH +3640 1214 1 -0.847600 16.715677 29.769445 29.158979 # 1 HOH +3641 1214 2 0.423800 15.755736 30.122814 28.938536 # 2 HOH +3642 1214 2 0.423800 16.697712 28.778965 29.101269 # 2 HOH +3643 1215 1 -0.847600 15.225117 22.603785 40.425312 # 1 HOH +3644 1215 2 0.423800 14.461429 22.888268 41.028706 # 2 HOH +3645 1215 2 0.423800 15.258307 23.390188 39.820160 # 2 HOH +3646 1216 1 -0.847600 10.210512 41.815811 37.995411 # 1 HOH +3647 1216 2 0.423800 11.131394 41.456436 38.327057 # 2 HOH +3648 1216 2 0.423800 9.635893 40.989826 38.201992 # 2 HOH +3649 1217 1 -0.847600 39.452797 13.277536 13.858124 # 1 HOH +3650 1217 2 0.423800 38.710258 12.674192 13.860797 # 2 HOH +3651 1217 2 0.423800 39.521259 13.644579 12.977511 # 2 HOH +3652 1218 1 -0.847600 42.131618 42.513096 38.347420 # 1 HOH +3653 1218 2 0.423800 41.374577 42.156448 37.757675 # 2 HOH +3654 1218 2 0.423800 42.023312 43.585773 38.295155 # 2 HOH +3655 1219 1 -0.847600 34.353333 20.229040 7.573048 # 1 HOH +3656 1219 2 0.423800 34.109337 19.515905 8.243271 # 2 HOH +3657 1219 2 0.423800 34.851685 20.866978 8.145893 # 2 HOH +3658 1220 1 -0.847600 13.279656 16.518673 19.750937 # 1 HOH +3659 1220 2 0.423800 13.709685 16.425983 18.866089 # 2 HOH +3660 1220 2 0.423800 14.156116 16.597702 20.233313 # 2 HOH +3661 1221 1 -0.847600 14.093263 0.476272 36.689808 # 1 HOH +3662 1221 2 0.423800 13.961090 1.108955 37.324615 # 2 HOH +3663 1221 2 0.423800 15.113890 0.344501 36.592243 # 2 HOH +3664 1222 1 -0.847600 28.911814 30.149912 6.091721 # 1 HOH +3665 1222 2 0.423800 28.186573 30.593166 5.615337 # 2 HOH +3666 1222 2 0.423800 29.261826 30.638496 6.823112 # 2 HOH +3667 1223 1 -0.847600 23.972178 28.264585 5.801837 # 1 HOH +3668 1223 2 0.423800 23.192852 28.233393 5.137424 # 2 HOH +3669 1223 2 0.423800 24.688047 27.732464 5.407250 # 2 HOH +3670 1224 1 -0.847600 12.688416 3.179914 24.957312 # 1 HOH +3671 1224 2 0.423800 12.337081 3.424160 25.830540 # 2 HOH +3672 1224 2 0.423800 11.963048 3.044111 24.249044 # 2 HOH +3673 1225 1 -0.847600 2.231419 20.144945 20.307917 # 1 HOH +3674 1225 2 0.423800 2.047258 19.615202 19.462091 # 2 HOH +3675 1225 2 0.423800 3.134363 20.547256 20.271286 # 2 HOH +3676 1226 1 -0.847600 37.109379 22.071167 41.648037 # 1 HOH +3677 1226 2 0.423800 38.031628 22.303476 41.449585 # 2 HOH +3678 1226 2 0.423800 36.562378 22.997671 41.530403 # 2 HOH +3679 1227 1 -0.847600 18.756281 16.861855 13.156021 # 1 HOH +3680 1227 2 0.423800 19.416285 16.146952 13.019061 # 2 HOH +3681 1227 2 0.423800 17.959337 16.619965 12.528998 # 2 HOH +3682 1228 1 -0.847600 10.691507 17.339901 34.657848 # 1 HOH +3683 1228 2 0.423800 11.528983 17.443270 35.179161 # 2 HOH +3684 1228 2 0.423800 9.944779 17.908072 35.104744 # 2 HOH +3685 1229 1 -0.847600 41.277229 3.734278 22.319954 # 1 HOH +3686 1229 2 0.423800 41.664219 4.301424 21.584152 # 2 HOH +3687 1229 2 0.423800 41.862049 2.979002 22.400549 # 2 HOH +3688 1230 1 -0.847600 38.341690 29.714436 17.688232 # 1 HOH +3689 1230 2 0.423800 38.538731 30.644133 18.077675 # 2 HOH +3690 1230 2 0.423800 37.532295 29.774626 17.166035 # 2 HOH +3691 1231 1 -0.847600 43.226006 11.214655 12.423386 # 1 HOH +3692 1231 2 0.423800 43.344234 12.090616 12.666575 # 2 HOH +3693 1231 2 0.423800 44.143856 10.982629 12.017009 # 2 HOH +3694 1232 1 -0.847600 21.453360 4.284943 11.039563 # 1 HOH +3695 1232 2 0.423800 22.009043 4.527421 10.231099 # 2 HOH +3696 1232 2 0.423800 22.206106 4.174851 11.835822 # 2 HOH +3697 1233 1 -0.847600 2.503124 2.183171 26.919250 # 1 HOH +3698 1233 2 0.423800 1.598994 1.839644 27.089502 # 2 HOH +3699 1233 2 0.423800 3.140279 1.822464 27.652796 # 2 HOH +3700 1234 1 -0.847600 41.555824 42.042236 33.910324 # 1 HOH +3701 1234 2 0.423800 42.389671 42.320877 34.337471 # 2 HOH +3702 1234 2 0.423800 41.929306 41.398525 33.190475 # 2 HOH +3703 1235 1 -0.847600 25.464106 26.587994 4.355917 # 1 HOH +3704 1235 2 0.423800 25.116652 25.733786 4.092834 # 2 HOH +3705 1235 2 0.423800 26.280581 26.426531 4.831450 # 2 HOH +3706 1236 1 -0.847600 32.638157 31.763678 16.221117 # 1 HOH +3707 1236 2 0.423800 32.701569 32.795620 16.256138 # 2 HOH +3708 1236 2 0.423800 33.166096 31.517765 15.347404 # 2 HOH +3709 1237 1 -0.847600 17.501972 10.581645 31.891787 # 1 HOH +3710 1237 2 0.423800 16.781584 10.345121 32.479092 # 2 HOH +3711 1237 2 0.423800 17.206829 10.958060 30.914923 # 2 HOH +3712 1238 1 -0.847600 37.760742 27.910395 2.230118 # 1 HOH +3713 1238 2 0.423800 37.263119 28.789783 2.253505 # 2 HOH +3714 1238 2 0.423800 38.432217 28.052858 2.966038 # 2 HOH +3715 1239 1 -0.847600 4.597800 29.466507 31.514425 # 1 HOH +3716 1239 2 0.423800 4.904013 28.658150 30.861422 # 2 HOH +3717 1239 2 0.423800 3.857901 29.013199 32.011585 # 2 HOH +3718 1240 1 -0.847600 29.815088 25.698420 39.528236 # 1 HOH +3719 1240 2 0.423800 30.198996 25.802357 38.649067 # 2 HOH +3720 1240 2 0.423800 30.038979 26.561104 40.011841 # 2 HOH +3721 1241 1 -0.847600 35.037487 10.890841 25.636515 # 1 HOH +3722 1241 2 0.423800 35.209511 9.978369 25.188200 # 2 HOH +3723 1241 2 0.423800 34.142578 11.421833 25.446541 # 2 HOH +3724 1242 1 -0.847600 33.049107 41.884052 23.487022 # 1 HOH +3725 1242 2 0.423800 32.386486 41.451031 24.050444 # 2 HOH +3726 1242 2 0.423800 32.528252 42.173801 22.722578 # 2 HOH +3727 1243 1 -0.847600 4.104579 6.364388 21.260811 # 1 HOH +3728 1243 2 0.423800 4.737713 6.748235 21.986164 # 2 HOH +3729 1243 2 0.423800 3.907003 5.402534 21.612812 # 2 HOH +3730 1244 1 -0.847600 31.289267 12.071987 42.752266 # 1 HOH +3731 1244 2 0.423800 31.496208 11.034385 42.848392 # 2 HOH +3732 1244 2 0.423800 30.504719 12.206001 42.085243 # 2 HOH +3733 1245 1 -0.847600 34.159054 45.162365 29.702412 # 1 HOH +3734 1245 2 0.423800 33.840069 44.187195 29.982512 # 2 HOH +3735 1245 2 0.423800 33.917492 45.267582 28.765610 # 2 HOH +3736 1246 1 -0.847600 27.313995 22.252785 17.358339 # 1 HOH +3737 1246 2 0.423800 27.569532 22.560555 16.427038 # 2 HOH +3738 1246 2 0.423800 26.324545 22.155352 17.347603 # 2 HOH +3739 1247 1 -0.847600 22.382587 5.122591 17.045359 # 1 HOH +3740 1247 2 0.423800 22.087618 5.592414 17.873510 # 2 HOH +3741 1247 2 0.423800 23.053324 4.454300 17.290909 # 2 HOH +3742 1248 1 -0.847600 36.825077 18.237844 8.841817 # 1 HOH +3743 1248 2 0.423800 36.835117 19.254602 8.660568 # 2 HOH +3744 1248 2 0.423800 36.667564 17.783117 7.989444 # 2 HOH +3745 1249 1 -0.847600 1.359965 22.909267 19.487232 # 1 HOH +3746 1249 2 0.423800 0.439971 23.173656 19.265402 # 2 HOH +3747 1249 2 0.423800 1.371698 21.944492 19.649385 # 2 HOH +3748 1250 1 -0.847600 39.773582 2.037794 7.301787 # 1 HOH +3749 1250 2 0.423800 40.655914 2.603379 7.413108 # 2 HOH +3750 1250 2 0.423800 39.714642 1.646496 6.364786 # 2 HOH +3751 1251 1 -0.847600 18.623354 2.358032 1.794690 # 1 HOH +3752 1251 2 0.423800 19.436522 2.170280 1.263081 # 2 HOH +3753 1251 2 0.423800 18.129557 3.033590 1.215757 # 2 HOH +3754 1252 1 -0.847600 40.168186 33.657738 27.858709 # 1 HOH +3755 1252 2 0.423800 39.405052 33.667492 27.261381 # 2 HOH +3756 1252 2 0.423800 41.036041 33.677513 27.383713 # 2 HOH +3757 1253 1 -0.847600 39.895626 9.008341 15.192605 # 1 HOH +3758 1253 2 0.423800 40.058605 8.464382 14.292011 # 2 HOH +3759 1253 2 0.423800 40.823139 9.398691 15.369189 # 2 HOH +3760 1254 1 -0.847600 40.237122 7.207957 22.733595 # 1 HOH +3761 1254 2 0.423800 40.803276 6.610757 23.254622 # 2 HOH +3762 1254 2 0.423800 40.753433 7.939978 22.313934 # 2 HOH +3763 1255 1 -0.847600 16.455038 17.585060 25.829552 # 1 HOH +3764 1255 2 0.423800 15.672155 18.139860 25.766356 # 2 HOH +3765 1255 2 0.423800 16.620173 17.408607 26.885195 # 2 HOH +3766 1256 1 -0.847600 5.418591 13.721639 16.475416 # 1 HOH +3767 1256 2 0.423800 5.106845 13.382835 15.579036 # 2 HOH +3768 1256 2 0.423800 5.374394 12.886646 17.038857 # 2 HOH +3769 1257 1 -0.847600 40.202312 1.686845 15.760710 # 1 HOH +3770 1257 2 0.423800 41.100208 1.223654 16.098562 # 2 HOH +3771 1257 2 0.423800 39.622326 1.617458 16.529865 # 2 HOH +3772 1258 1 -0.847600 28.870090 6.132154 41.475517 # 1 HOH +3773 1258 2 0.423800 29.463268 5.758388 42.304272 # 2 HOH +3774 1258 2 0.423800 29.218210 5.699277 40.600788 # 2 HOH +3775 1259 1 -0.847600 16.584213 4.680419 5.911705 # 1 HOH +3776 1259 2 0.423800 15.934141 4.615434 5.237796 # 2 HOH +3777 1259 2 0.423800 16.161705 4.498248 6.731533 # 2 HOH +3778 1260 1 -0.847600 26.857391 13.376130 10.077842 # 1 HOH +3779 1260 2 0.423800 27.299234 13.303480 9.162026 # 2 HOH +3780 1260 2 0.423800 26.609755 14.358529 10.166823 # 2 HOH +3781 1261 1 -0.847600 40.250179 25.898165 14.407067 # 1 HOH +3782 1261 2 0.423800 40.031624 26.085257 13.394622 # 2 HOH +3783 1261 2 0.423800 39.258026 25.835485 14.770308 # 2 HOH +3784 1262 1 -0.847600 36.447803 31.431627 0.393617 # 1 HOH +3785 1262 2 0.423800 37.150501 31.130419 1.047506 # 2 HOH +3786 1262 2 0.423800 35.572197 30.957615 0.606609 # 2 HOH +3787 1263 1 -0.847600 35.193439 12.448459 22.484333 # 1 HOH +3788 1263 2 0.423800 35.973621 12.363249 21.775990 # 2 HOH +3789 1263 2 0.423800 35.525730 12.080081 23.342649 # 2 HOH +3790 1264 1 -0.847600 11.291376 27.150957 33.382957 # 1 HOH +3791 1264 2 0.423800 10.620679 27.719105 32.951904 # 2 HOH +3792 1264 2 0.423800 11.668497 27.620657 34.066540 # 2 HOH +3793 1265 1 -0.847600 3.214188 3.967196 25.031982 # 1 HOH +3794 1265 2 0.423800 2.899047 3.324205 25.689306 # 2 HOH +3795 1265 2 0.423800 3.723754 4.619925 25.604574 # 2 HOH +3796 1266 1 -0.847600 40.202923 19.794546 38.431419 # 1 HOH +3797 1266 2 0.423800 40.227039 18.828941 38.171700 # 2 HOH +3798 1266 2 0.423800 39.372669 19.926588 38.956551 # 2 HOH +3799 1267 1 -0.847600 8.811550 32.171658 4.436115 # 1 HOH +3800 1267 2 0.423800 8.353481 31.949085 3.620614 # 2 HOH +3801 1267 2 0.423800 8.218146 31.763098 5.203876 # 2 HOH +3802 1268 1 -0.847600 25.027916 19.642035 16.870543 # 1 HOH +3803 1268 2 0.423800 25.087465 19.561272 15.859631 # 2 HOH +3804 1268 2 0.423800 25.956657 19.472000 17.357090 # 2 HOH +3805 1269 1 -0.847600 9.137607 27.149124 22.547970 # 1 HOH +3806 1269 2 0.423800 9.681100 26.289309 22.476925 # 2 HOH +3807 1269 2 0.423800 9.745359 27.718039 22.004843 # 2 HOH +3808 1270 1 -0.847600 14.891458 8.892778 20.195553 # 1 HOH +3809 1270 2 0.423800 14.852584 9.768513 19.626694 # 2 HOH +3810 1270 2 0.423800 15.250898 8.141852 19.464203 # 2 HOH +3811 1271 1 -0.847600 8.055505 29.242792 39.548618 # 1 HOH +3812 1271 2 0.423800 7.311721 29.114082 38.845818 # 2 HOH +3813 1271 2 0.423800 7.573186 29.568003 40.382950 # 2 HOH +3814 1272 1 -0.847600 26.459999 7.730480 19.931068 # 1 HOH +3815 1272 2 0.423800 26.925917 7.260994 20.687952 # 2 HOH +3816 1272 2 0.423800 25.532074 7.666921 20.241676 # 2 HOH +3817 1273 1 -0.847600 31.231447 10.689017 36.797848 # 1 HOH +3818 1273 2 0.423800 31.744699 10.951422 37.644253 # 2 HOH +3819 1273 2 0.423800 31.243124 11.438020 36.249012 # 2 HOH +3820 1274 1 -0.847600 42.299126 10.728091 15.084612 # 1 HOH +3821 1274 2 0.423800 42.310413 11.087468 14.119955 # 2 HOH +3822 1274 2 0.423800 42.229828 11.585357 15.670246 # 2 HOH +3823 1275 1 -0.847600 8.449544 39.308617 38.510483 # 1 HOH +3824 1275 2 0.423800 7.579374 38.744270 38.759846 # 2 HOH +3825 1275 2 0.423800 8.834297 38.897377 37.667866 # 2 HOH +3826 1276 1 -0.847600 10.216797 19.395672 30.246485 # 1 HOH +3827 1276 2 0.423800 9.611149 18.522030 30.369539 # 2 HOH +3828 1276 2 0.423800 10.209682 19.604443 29.239611 # 2 HOH +3829 1277 1 -0.847600 1.995084 25.000423 26.541779 # 1 HOH +3830 1277 2 0.423800 1.038323 25.245264 26.497976 # 2 HOH +3831 1277 2 0.423800 2.510786 25.334959 25.677803 # 2 HOH +3832 1278 1 -0.847600 8.729367 13.488501 10.777285 # 1 HOH +3833 1278 2 0.423800 9.612172 13.063913 10.794871 # 2 HOH +3834 1278 2 0.423800 7.991320 12.839265 10.559487 # 2 HOH +3835 1279 1 -0.847600 -0.095629 22.386311 32.931908 # 1 HOH +3836 1279 2 0.423800 0.130141 21.378756 33.025284 # 2 HOH +3837 1279 2 0.423800 -0.661870 22.666355 33.739147 # 2 HOH +3838 1280 1 -0.847600 31.512335 24.609295 21.884474 # 1 HOH +3839 1280 2 0.423800 30.817305 23.929396 21.640360 # 2 HOH +3840 1280 2 0.423800 31.186462 25.500053 21.570049 # 2 HOH +3841 1281 1 -0.847600 8.867172 24.136129 14.119305 # 1 HOH +3842 1281 2 0.423800 9.152843 23.477043 13.357438 # 2 HOH +3843 1281 2 0.423800 8.970817 24.962685 13.534101 # 2 HOH +3844 1282 1 -0.847600 24.403419 10.774736 37.194469 # 1 HOH +3845 1282 2 0.423800 23.890507 10.765893 36.366425 # 2 HOH +3846 1282 2 0.423800 23.678732 10.934117 37.942089 # 2 HOH +3847 1283 1 -0.847600 35.841858 38.317776 1.558478 # 1 HOH +3848 1283 2 0.423800 34.984505 37.983986 1.523315 # 2 HOH +3849 1283 2 0.423800 36.180962 38.041206 2.430398 # 2 HOH +3850 1284 1 -0.847600 17.524752 0.603806 12.842873 # 1 HOH +3851 1284 2 0.423800 16.614679 0.410202 12.458078 # 2 HOH +3852 1284 2 0.423800 17.459532 1.468948 13.359896 # 2 HOH +3853 1285 1 -0.847600 2.259451 36.334961 14.141655 # 1 HOH +3854 1285 2 0.423800 2.091310 35.497700 14.538243 # 2 HOH +3855 1285 2 0.423800 2.500497 36.147976 13.140058 # 2 HOH +3856 1286 1 -0.847600 21.420118 2.617125 0.753642 # 1 HOH +3857 1286 2 0.423800 21.366858 3.694906 0.496480 # 2 HOH +3858 1286 2 0.423800 21.523811 2.082038 -0.135589 # 2 HOH +3859 1287 1 -0.847600 16.130281 12.283178 19.570862 # 1 HOH +3860 1287 2 0.423800 16.729013 12.752263 18.916578 # 2 HOH +3861 1287 2 0.423800 15.971114 11.302649 19.236971 # 2 HOH +3862 1288 1 -0.847600 18.176319 31.119778 4.216737 # 1 HOH +3863 1288 2 0.423800 18.694826 31.362087 3.448151 # 2 HOH +3864 1288 2 0.423800 17.414446 31.722673 4.197777 # 2 HOH +3865 1289 1 -0.847600 2.515923 16.904264 14.986038 # 1 HOH +3866 1289 2 0.423800 2.957469 16.511572 15.802551 # 2 HOH +3867 1289 2 0.423800 3.099373 16.634722 14.265061 # 2 HOH +3868 1290 1 -0.847600 38.288040 7.931745 40.989174 # 1 HOH +3869 1290 2 0.423800 38.499802 8.778990 41.484917 # 2 HOH +3870 1290 2 0.423800 38.322979 7.235068 41.726959 # 2 HOH +3871 1291 1 -0.847600 35.102535 37.531574 21.650827 # 1 HOH +3872 1291 2 0.423800 34.202717 37.701790 21.867025 # 2 HOH +3873 1291 2 0.423800 35.527958 38.057854 22.336609 # 2 HOH +3874 1292 1 -0.847600 19.071749 37.583096 5.705451 # 1 HOH +3875 1292 2 0.423800 18.113663 37.862110 5.517097 # 2 HOH +3876 1292 2 0.423800 19.300905 37.000404 4.924136 # 2 HOH +3877 1293 1 -0.847600 25.541945 28.067341 15.347252 # 1 HOH +3878 1293 2 0.423800 25.378925 28.598810 16.224613 # 2 HOH +3879 1293 2 0.423800 24.882326 28.599550 14.800782 # 2 HOH +3880 1294 1 -0.847600 9.289642 35.728752 5.012825 # 1 HOH +3881 1294 2 0.423800 10.095392 35.590668 4.540998 # 2 HOH +3882 1294 2 0.423800 9.061757 34.890274 5.280890 # 2 HOH +3883 1295 1 -0.847600 38.166237 32.441914 21.393005 # 1 HOH +3884 1295 2 0.423800 37.997955 31.393749 21.353674 # 2 HOH +3885 1295 2 0.423800 39.221634 32.556084 21.159933 # 2 HOH +3886 1296 1 -0.847600 21.120173 34.492226 13.259916 # 1 HOH +3887 1296 2 0.423800 20.670507 34.999863 13.981085 # 2 HOH +3888 1296 2 0.423800 20.607073 34.205193 12.531348 # 2 HOH +3889 1297 1 -0.847600 29.019131 12.888367 27.395432 # 1 HOH +3890 1297 2 0.423800 28.786293 13.811618 27.161793 # 2 HOH +3891 1297 2 0.423800 29.497236 12.982782 28.313850 # 2 HOH +3892 1298 1 -0.847600 33.807816 42.132874 -0.625693 # 1 HOH +3893 1298 2 0.423800 33.728260 41.183235 -0.095139 # 2 HOH +3894 1298 2 0.423800 33.786476 42.796852 0.132752 # 2 HOH +3895 1299 1 -0.847600 26.905342 27.425127 39.590332 # 1 HOH +3896 1299 2 0.423800 26.121258 27.833475 40.231049 # 2 HOH +3897 1299 2 0.423800 27.647398 28.138048 39.560783 # 2 HOH +3898 1300 1 -0.847600 34.972206 34.130020 26.816326 # 1 HOH +3899 1300 2 0.423800 34.394108 33.769176 26.134083 # 2 HOH +3900 1300 2 0.423800 34.521549 33.921967 27.667072 # 2 HOH +3901 1301 1 -0.847600 16.119875 4.872678 37.456997 # 1 HOH +3902 1301 2 0.423800 15.602057 5.054886 36.675251 # 2 HOH +3903 1301 2 0.423800 16.323435 3.896720 37.274399 # 2 HOH +3904 1302 1 -0.847600 25.092281 18.297262 11.839035 # 1 HOH +3905 1302 2 0.423800 25.235922 17.292418 11.663739 # 2 HOH +3906 1302 2 0.423800 24.446871 18.520891 11.097536 # 2 HOH +3907 1303 1 -0.847600 13.444620 26.222479 9.749162 # 1 HOH +3908 1303 2 0.423800 13.657082 25.377314 10.130304 # 2 HOH +3909 1303 2 0.423800 12.681067 26.001406 9.158155 # 2 HOH +3910 1304 1 -0.847600 38.701485 18.366827 20.361586 # 1 HOH +3911 1304 2 0.423800 39.014168 19.348289 20.295866 # 2 HOH +3912 1304 2 0.423800 39.401787 17.672535 20.258993 # 2 HOH +3913 1305 1 -0.847600 17.918922 37.244926 8.334009 # 1 HOH +3914 1305 2 0.423800 16.970869 37.441952 8.016094 # 2 HOH +3915 1305 2 0.423800 18.405964 37.607994 7.547554 # 2 HOH +3916 1306 1 -0.847600 23.181684 16.802385 35.123917 # 1 HOH +3917 1306 2 0.423800 22.671959 17.710690 35.095493 # 2 HOH +3918 1306 2 0.423800 22.871500 16.354521 34.273201 # 2 HOH +3919 1307 1 -0.847600 40.901333 22.857731 8.877316 # 1 HOH +3920 1307 2 0.423800 40.548237 23.463678 8.205604 # 2 HOH +3921 1307 2 0.423800 40.970276 21.960079 8.335867 # 2 HOH +3922 1308 1 -0.847600 18.531921 42.955116 35.984741 # 1 HOH +3923 1308 2 0.423800 19.443844 43.104774 35.632111 # 2 HOH +3924 1308 2 0.423800 18.208944 42.368263 35.340439 # 2 HOH +3925 1309 1 -0.847600 26.385834 35.764790 24.082493 # 1 HOH +3926 1309 2 0.423800 26.455318 36.391777 24.929937 # 2 HOH +3927 1309 2 0.423800 27.281267 36.100010 23.658228 # 2 HOH +3928 1310 1 -0.847600 27.269800 35.184181 40.040489 # 1 HOH +3929 1310 2 0.423800 27.071014 34.328220 40.509014 # 2 HOH +3930 1310 2 0.423800 28.125776 35.402287 40.383606 # 2 HOH +3931 1311 1 -0.847600 26.850775 33.558098 13.219048 # 1 HOH +3932 1311 2 0.423800 26.410032 32.744465 13.286869 # 2 HOH +3933 1311 2 0.423800 27.238386 33.350288 12.278160 # 2 HOH +3934 1312 1 -0.847600 2.006419 14.061542 14.484182 # 1 HOH +3935 1312 2 0.423800 1.138667 13.782824 14.128833 # 2 HOH +3936 1312 2 0.423800 1.806661 15.063639 14.561512 # 2 HOH +3937 1313 1 -0.847600 40.865658 21.367113 31.365959 # 1 HOH +3938 1313 2 0.423800 41.717873 20.845810 31.595257 # 2 HOH +3939 1313 2 0.423800 40.143475 21.151110 32.110558 # 2 HOH +3940 1314 1 -0.847600 28.155428 39.637520 21.560425 # 1 HOH +3941 1314 2 0.423800 28.027815 38.790970 21.093189 # 2 HOH +3942 1314 2 0.423800 27.500521 40.314262 21.293608 # 2 HOH +3943 1315 1 -0.847600 40.828678 32.891666 21.434902 # 1 HOH +3944 1315 2 0.423800 40.781639 31.995771 21.917784 # 2 HOH +3945 1315 2 0.423800 41.463467 33.361500 21.987257 # 2 HOH +3946 1316 1 -0.847600 26.358255 19.052723 7.024260 # 1 HOH +3947 1316 2 0.423800 26.372892 18.706291 6.069869 # 2 HOH +3948 1316 2 0.423800 27.314281 19.037983 7.270489 # 2 HOH +3949 1317 1 -0.847600 30.534575 4.517710 9.548690 # 1 HOH +3950 1317 2 0.423800 31.427500 4.524726 9.824368 # 2 HOH +3951 1317 2 0.423800 30.140064 5.442102 10.021960 # 2 HOH +3952 1318 1 -0.847600 1.797978 34.604305 40.560085 # 1 HOH +3953 1318 2 0.423800 2.198532 33.661324 40.659485 # 2 HOH +3954 1318 2 0.423800 1.200945 34.685738 41.248013 # 2 HOH +3955 1319 1 -0.847600 42.734009 13.018493 38.484650 # 1 HOH +3956 1319 2 0.423800 42.011261 13.585456 38.138100 # 2 HOH +3957 1319 2 0.423800 42.436665 12.441420 39.220863 # 2 HOH +3958 1320 1 -0.847600 25.988537 18.740919 32.641354 # 1 HOH +3959 1320 2 0.423800 26.606184 19.218847 32.093124 # 2 HOH +3960 1320 2 0.423800 25.914799 19.100477 33.651058 # 2 HOH +3961 1321 1 -0.847600 20.789562 8.461129 40.492962 # 1 HOH +3962 1321 2 0.423800 21.816084 8.736860 40.408813 # 2 HOH +3963 1321 2 0.423800 20.476717 9.116228 41.124023 # 2 HOH +3964 1322 1 -0.847600 30.093191 23.418898 10.213316 # 1 HOH +3965 1322 2 0.423800 30.711729 23.580719 10.916460 # 2 HOH +3966 1322 2 0.423800 30.821489 23.076500 9.592820 # 2 HOH +3967 1323 1 -0.847600 30.352947 31.868237 36.709991 # 1 HOH +3968 1323 2 0.423800 30.229492 30.913153 37.041843 # 2 HOH +3969 1323 2 0.423800 29.745047 32.431095 37.285480 # 2 HOH +3970 1324 1 -0.847600 27.456135 17.722399 9.441242 # 1 HOH +3971 1324 2 0.423800 28.165499 17.432356 8.719563 # 2 HOH +3972 1324 2 0.423800 27.300192 18.730875 9.298882 # 2 HOH +3973 1325 1 -0.847600 17.677301 39.600945 36.115269 # 1 HOH +3974 1325 2 0.423800 18.632673 39.651108 36.502785 # 2 HOH +3975 1325 2 0.423800 17.773905 40.302326 35.253872 # 2 HOH +3976 1326 1 -0.847600 28.674900 41.531334 23.544809 # 1 HOH +3977 1326 2 0.423800 28.855398 40.844944 22.849489 # 2 HOH +3978 1326 2 0.423800 27.650801 41.330498 23.615982 # 2 HOH +3979 1327 1 -0.847600 41.685417 27.814760 37.057804 # 1 HOH +3980 1327 2 0.423800 41.979061 26.934343 37.475533 # 2 HOH +3981 1327 2 0.423800 40.710209 27.971220 37.489468 # 2 HOH +3982 1328 1 -0.847600 21.173923 5.413973 3.073202 # 1 HOH +3983 1328 2 0.423800 20.332249 5.075395 3.359558 # 2 HOH +3984 1328 2 0.423800 21.943451 4.793784 3.202243 # 2 HOH +3985 1329 1 -0.847600 23.707720 30.994070 2.713338 # 1 HOH +3986 1329 2 0.423800 23.139650 31.765533 3.107834 # 2 HOH +3987 1329 2 0.423800 23.065029 30.191212 2.777608 # 2 HOH +3988 1330 1 -0.847600 23.730534 26.593197 27.834213 # 1 HOH +3989 1330 2 0.423800 23.068686 27.375248 27.778582 # 2 HOH +3990 1330 2 0.423800 23.145298 25.791594 27.911203 # 2 HOH +3991 1331 1 -0.847600 2.023512 38.785038 3.563664 # 1 HOH +3992 1331 2 0.423800 2.907079 39.121887 3.327676 # 2 HOH +3993 1331 2 0.423800 2.058347 38.686821 4.597038 # 2 HOH +3994 1332 1 -0.847600 37.704384 20.393505 39.206741 # 1 HOH +3995 1332 2 0.423800 37.070244 20.355536 38.466591 # 2 HOH +3996 1332 2 0.423800 37.289639 20.834536 39.975948 # 2 HOH +3997 1333 1 -0.847600 6.102612 6.570524 2.121725 # 1 HOH +3998 1333 2 0.423800 6.621406 6.106568 1.393247 # 2 HOH +3999 1333 2 0.423800 6.167058 7.466907 1.879106 # 2 HOH +4000 1334 1 -0.847600 25.723516 6.336616 7.044400 # 1 HOH +4001 1334 2 0.423800 25.692261 5.629048 6.274035 # 2 HOH +4002 1334 2 0.423800 25.365866 7.185999 6.571247 # 2 HOH +4003 1335 1 -0.847600 19.276690 29.788265 24.735069 # 1 HOH +4004 1335 2 0.423800 19.491720 28.910250 24.624725 # 2 HOH +4005 1335 2 0.423800 18.971684 30.128639 23.772697 # 2 HOH +4006 1336 1 -0.847600 19.881033 13.359729 37.934677 # 1 HOH +4007 1336 2 0.423800 20.090700 14.182468 37.333092 # 2 HOH +4008 1336 2 0.423800 19.071795 12.948019 37.509510 # 2 HOH +4009 1337 1 -0.847600 4.327877 8.839232 19.112663 # 1 HOH +4010 1337 2 0.423800 3.507018 8.335032 19.190914 # 2 HOH +4011 1337 2 0.423800 5.045055 8.215315 19.356169 # 2 HOH +4012 1338 1 -0.847600 27.240114 26.326117 6.432114 # 1 HOH +4013 1338 2 0.423800 27.122206 25.436146 6.793686 # 2 HOH +4014 1338 2 0.423800 26.876287 26.845257 7.099140 # 2 HOH +4015 1339 1 -0.847600 29.514366 18.238153 25.325634 # 1 HOH +4016 1339 2 0.423800 29.811666 18.571398 26.165976 # 2 HOH +4017 1339 2 0.423800 30.316326 18.316721 24.619177 # 2 HOH +4018 1340 1 -0.847600 19.638285 39.292622 2.822207 # 1 HOH +4019 1340 2 0.423800 20.616573 39.570255 3.050076 # 2 HOH +4020 1340 2 0.423800 19.725676 38.606140 2.120899 # 2 HOH +4021 1341 1 -0.847600 2.566995 42.683659 21.616335 # 1 HOH +4022 1341 2 0.423800 2.710013 43.129944 22.461544 # 2 HOH +4023 1341 2 0.423800 1.571723 42.923954 21.379339 # 2 HOH +4024 1342 1 -0.847600 31.186277 26.054235 37.155727 # 1 HOH +4025 1342 2 0.423800 31.963112 26.664415 37.185612 # 2 HOH +4026 1342 2 0.423800 30.818859 26.233173 36.234951 # 2 HOH +4027 1343 1 -0.847600 23.250015 35.534943 11.411864 # 1 HOH +4028 1343 2 0.423800 22.682226 35.206200 12.200388 # 2 HOH +4029 1343 2 0.423800 22.656782 36.165390 10.945069 # 2 HOH +4030 1344 1 -0.847600 15.766121 34.439945 36.113976 # 1 HOH +4031 1344 2 0.423800 16.108416 33.608131 35.503887 # 2 HOH +4032 1344 2 0.423800 14.722703 34.301319 35.938065 # 2 HOH +4033 1345 1 -0.847600 26.467888 1.888519 40.202656 # 1 HOH +4034 1345 2 0.423800 26.813578 1.421040 40.939423 # 2 HOH +4035 1345 2 0.423800 25.897230 2.687827 40.644421 # 2 HOH +4036 1346 1 -0.847600 31.106577 9.282938 0.479717 # 1 HOH +4037 1346 2 0.423800 30.954079 9.259044 -0.532261 # 2 HOH +4038 1346 2 0.423800 31.794455 8.575447 0.596150 # 2 HOH +4039 1347 1 -0.847600 15.947964 42.679684 28.748693 # 1 HOH +4040 1347 2 0.423800 16.233788 42.162422 27.962837 # 2 HOH +4041 1347 2 0.423800 16.224546 43.518211 28.593256 # 2 HOH +4042 1348 1 -0.847600 41.280277 38.065033 7.213188 # 1 HOH +4043 1348 2 0.423800 42.278080 37.888252 7.352304 # 2 HOH +4044 1348 2 0.423800 41.247395 38.969242 6.769433 # 2 HOH +4045 1349 1 -0.847600 32.696499 6.187314 12.593114 # 1 HOH +4046 1349 2 0.423800 33.275948 6.448219 13.420309 # 2 HOH +4047 1349 2 0.423800 31.713474 6.050810 12.901945 # 2 HOH +4048 1350 1 -0.847600 15.243322 10.382531 17.823566 # 1 HOH +4049 1350 2 0.423800 15.858276 9.607906 17.460972 # 2 HOH +4050 1350 2 0.423800 14.920269 10.746385 16.960732 # 2 HOH +4051 1351 1 -0.847600 3.713480 34.392372 16.624493 # 1 HOH +4052 1351 2 0.423800 2.763524 34.086300 16.624371 # 2 HOH +4053 1351 2 0.423800 4.104125 33.614208 17.203514 # 2 HOH +4054 1352 1 -0.847600 16.948597 21.004494 35.725109 # 1 HOH +4055 1352 2 0.423800 16.643631 20.803938 34.697418 # 2 HOH +4056 1352 2 0.423800 16.395540 20.436281 36.352642 # 2 HOH +4057 1353 1 -0.847600 24.786352 43.893589 25.042225 # 1 HOH +4058 1353 2 0.423800 24.843122 42.981506 25.631392 # 2 HOH +4059 1353 2 0.423800 23.821770 43.821846 24.669901 # 2 HOH +4060 1354 1 -0.847600 35.676624 41.692616 27.262260 # 1 HOH +4061 1354 2 0.423800 36.338501 42.116367 27.719423 # 2 HOH +4062 1354 2 0.423800 35.886089 40.676365 27.424185 # 2 HOH +4063 1355 1 -0.847600 43.563774 2.950037 3.802725 # 1 HOH +4064 1355 2 0.423800 42.614239 3.342885 3.976024 # 2 HOH +4065 1355 2 0.423800 43.517963 2.041055 3.238047 # 2 HOH +4066 1356 1 -0.847600 7.381042 22.686659 38.444820 # 1 HOH +4067 1356 2 0.423800 7.332075 21.758425 38.285065 # 2 HOH +4068 1356 2 0.423800 6.729990 23.097292 37.795399 # 2 HOH +4069 1357 1 -0.847600 41.260872 32.344078 41.186726 # 1 HOH +4070 1357 2 0.423800 40.703388 32.325935 40.276276 # 2 HOH +4071 1357 2 0.423800 40.629654 32.671368 41.916332 # 2 HOH +4072 1358 1 -0.847600 12.856230 20.340281 34.674374 # 1 HOH +4073 1358 2 0.423800 13.077175 19.483564 35.142178 # 2 HOH +4074 1358 2 0.423800 12.032028 20.645824 35.189602 # 2 HOH +4075 1359 1 -0.847600 20.212105 42.931908 10.497839 # 1 HOH +4076 1359 2 0.423800 20.187387 41.973923 10.399080 # 2 HOH +4077 1359 2 0.423800 20.531137 43.137939 11.436245 # 2 HOH +4078 1360 1 -0.847600 4.321048 8.114461 13.939566 # 1 HOH +4079 1360 2 0.423800 4.072343 8.567655 14.776731 # 2 HOH +4080 1360 2 0.423800 3.510504 8.127066 13.364077 # 2 HOH +4081 1361 1 -0.847600 7.742293 30.147753 19.629791 # 1 HOH +4082 1361 2 0.423800 7.940230 29.339056 19.038927 # 2 HOH +4083 1361 2 0.423800 6.793208 30.443472 19.355394 # 2 HOH +4084 1362 1 -0.847600 23.392038 26.271664 36.120514 # 1 HOH +4085 1362 2 0.423800 22.952921 27.098927 35.842609 # 2 HOH +4086 1362 2 0.423800 23.914385 26.593985 36.949135 # 2 HOH +4087 1363 1 -0.847600 2.440863 19.065880 4.337131 # 1 HOH +4088 1363 2 0.423800 1.477074 19.415483 4.284212 # 2 HOH +4089 1363 2 0.423800 2.595883 18.835670 5.276394 # 2 HOH +4090 1364 1 -0.847600 9.806978 15.053248 28.336670 # 1 HOH +4091 1364 2 0.423800 9.276332 15.125682 29.177294 # 2 HOH +4092 1364 2 0.423800 10.018893 14.102991 28.279020 # 2 HOH +4093 1365 1 -0.847600 2.380740 26.945736 38.895798 # 1 HOH +4094 1365 2 0.423800 2.948526 26.792011 37.994453 # 2 HOH +4095 1365 2 0.423800 2.653711 26.337099 39.668530 # 2 HOH +4096 1366 1 -0.847600 36.740234 42.917976 41.448486 # 1 HOH +4097 1366 2 0.423800 35.785885 43.044598 41.706493 # 2 HOH +4098 1366 2 0.423800 36.713680 41.848137 41.358330 # 2 HOH +4099 1367 1 -0.847600 23.191757 2.012475 15.116035 # 1 HOH +4100 1367 2 0.423800 24.168907 1.664657 15.291396 # 2 HOH +4101 1367 2 0.423800 22.778677 1.694775 15.878991 # 2 HOH +4102 1368 1 -0.847600 40.077026 17.358789 14.792328 # 1 HOH +4103 1368 2 0.423800 40.689175 17.416218 14.145935 # 2 HOH +4104 1368 2 0.423800 40.345451 17.906067 15.626766 # 2 HOH +4105 1369 1 -0.847600 3.786050 35.940006 29.723045 # 1 HOH +4106 1369 2 0.423800 3.855311 36.537891 28.876879 # 2 HOH +4107 1369 2 0.423800 3.940414 34.956375 29.459238 # 2 HOH +4108 1370 1 -0.847600 11.140018 25.410538 11.987896 # 1 HOH +4109 1370 2 0.423800 11.455891 25.608046 11.059200 # 2 HOH +4110 1370 2 0.423800 11.129329 26.343618 12.453696 # 2 HOH +4111 1371 1 -0.847600 14.013719 11.266494 12.474096 # 1 HOH +4112 1371 2 0.423800 13.090788 11.740583 12.523688 # 2 HOH +4113 1371 2 0.423800 14.334115 11.524687 11.571158 # 2 HOH +4114 1372 1 -0.847600 14.707062 36.430267 4.371317 # 1 HOH +4115 1372 2 0.423800 14.945631 36.088707 3.439143 # 2 HOH +4116 1372 2 0.423800 14.159628 37.263134 4.034634 # 2 HOH +4117 1373 1 -0.847600 12.060174 4.290691 6.086505 # 1 HOH +4118 1373 2 0.423800 12.524109 4.948362 6.618067 # 2 HOH +4119 1373 2 0.423800 11.102470 4.374490 6.288311 # 2 HOH +4120 1374 1 -0.847600 2.521834 41.913918 34.986439 # 1 HOH +4121 1374 2 0.423800 2.270891 40.928719 35.110855 # 2 HOH +4122 1374 2 0.423800 3.397334 42.050877 34.473549 # 2 HOH +4123 1375 1 -0.847600 25.705717 27.088892 33.537476 # 1 HOH +4124 1375 2 0.423800 25.659945 27.997473 33.970161 # 2 HOH +4125 1375 2 0.423800 25.592066 27.331028 32.531815 # 2 HOH +4126 1376 1 -0.847600 10.112418 44.206394 0.774428 # 1 HOH +4127 1376 2 0.423800 10.281673 43.260933 0.392859 # 2 HOH +4128 1376 2 0.423800 11.021129 44.498508 1.002826 # 2 HOH +4129 1377 1 -0.847600 34.069756 29.074659 6.946302 # 1 HOH +4130 1377 2 0.423800 33.429131 28.303949 7.094576 # 2 HOH +4131 1377 2 0.423800 33.679577 29.912899 7.516877 # 2 HOH +4132 1378 1 -0.847600 4.571856 6.935832 28.409855 # 1 HOH +4133 1378 2 0.423800 4.062368 7.687645 28.867023 # 2 HOH +4134 1378 2 0.423800 5.074274 6.542120 29.198259 # 2 HOH +4135 1379 1 -0.847600 30.620640 44.421192 31.427145 # 1 HOH +4136 1379 2 0.423800 30.885868 44.607059 32.464954 # 2 HOH +4137 1379 2 0.423800 31.350103 44.004948 30.861370 # 2 HOH +4138 1380 1 -0.847600 40.923195 33.485680 33.743473 # 1 HOH +4139 1380 2 0.423800 40.017982 33.117847 33.765888 # 2 HOH +4140 1380 2 0.423800 40.996243 33.826931 32.889656 # 2 HOH +4141 1381 1 -0.847600 6.195334 26.283915 6.099593 # 1 HOH +4142 1381 2 0.423800 6.593001 25.508696 5.604001 # 2 HOH +4143 1381 2 0.423800 5.318233 26.454582 5.601258 # 2 HOH +4144 1382 1 -0.847600 19.866014 10.976655 10.422393 # 1 HOH +4145 1382 2 0.423800 19.988794 11.034219 11.436618 # 2 HOH +4146 1382 2 0.423800 20.767292 11.308742 10.170501 # 2 HOH +4147 1383 1 -0.847600 16.465492 15.000770 31.415112 # 1 HOH +4148 1383 2 0.423800 15.665878 15.602214 31.329138 # 2 HOH +4149 1383 2 0.423800 16.702587 14.790259 30.430855 # 2 HOH +4150 1384 1 -0.847600 42.241249 33.838123 7.357404 # 1 HOH +4151 1384 2 0.423800 42.626015 32.952744 7.548860 # 2 HOH +4152 1384 2 0.423800 42.921833 34.303894 6.763714 # 2 HOH +4153 1385 1 -0.847600 40.435207 41.640694 23.924604 # 1 HOH +4154 1385 2 0.423800 40.987469 41.487431 24.691847 # 2 HOH +4155 1385 2 0.423800 40.253971 40.746063 23.500166 # 2 HOH +4156 1386 1 -0.847600 32.702896 12.559505 25.277021 # 1 HOH +4157 1386 2 0.423800 31.843409 12.121831 25.378639 # 2 HOH +4158 1386 2 0.423800 32.461609 13.478864 25.028166 # 2 HOH +4159 1387 1 -0.847600 11.026884 0.084003 11.413389 # 1 HOH +4160 1387 2 0.423800 11.573157 0.103288 10.541440 # 2 HOH +4161 1387 2 0.423800 10.024809 0.236726 11.253674 # 2 HOH +4162 1388 1 -0.847600 36.211582 2.278312 19.109236 # 1 HOH +4163 1388 2 0.423800 35.718674 2.925622 19.699308 # 2 HOH +4164 1388 2 0.423800 37.055737 2.162428 19.619781 # 2 HOH +4165 1389 1 -0.847600 7.604979 39.555580 13.047058 # 1 HOH +4166 1389 2 0.423800 7.545599 38.825962 13.752902 # 2 HOH +4167 1389 2 0.423800 8.567773 39.378227 12.693341 # 2 HOH +4168 1390 1 -0.847600 34.260830 19.878414 22.234312 # 1 HOH +4169 1390 2 0.423800 34.698425 19.468021 23.107672 # 2 HOH +4170 1390 2 0.423800 34.161892 18.983799 21.665051 # 2 HOH +4171 1391 1 -0.847600 28.933842 20.237122 32.057190 # 1 HOH +4172 1391 2 0.423800 29.116003 20.349211 33.102348 # 2 HOH +4173 1391 2 0.423800 28.068790 20.725157 31.902441 # 2 HOH +4174 1392 1 -0.847600 35.956135 19.575151 5.588225 # 1 HOH +4175 1392 2 0.423800 36.067875 18.564682 5.624969 # 2 HOH +4176 1392 2 0.423800 35.249737 19.817093 6.294613 # 2 HOH +4177 1393 1 -0.847600 31.206951 38.918736 20.279615 # 1 HOH +4178 1393 2 0.423800 31.162848 38.350269 21.085899 # 2 HOH +4179 1393 2 0.423800 30.514620 39.544708 20.254242 # 2 HOH +4180 1394 1 -0.847600 22.109344 38.525188 17.283587 # 1 HOH +4181 1394 2 0.423800 22.691614 38.077541 16.609198 # 2 HOH +4182 1394 2 0.423800 22.526159 39.387665 17.401640 # 2 HOH +4183 1395 1 -0.847600 18.573698 35.334717 1.597081 # 1 HOH +4184 1395 2 0.423800 19.230484 36.040218 1.294978 # 2 HOH +4185 1395 2 0.423800 19.030617 35.113174 2.394968 # 2 HOH +4186 1396 1 -0.847600 1.962115 38.073444 16.179810 # 1 HOH +4187 1396 2 0.423800 2.286215 37.577347 15.299563 # 2 HOH +4188 1396 2 0.423800 2.346194 39.008839 15.894236 # 2 HOH +4189 1397 1 -0.847600 12.216081 11.893222 20.591976 # 1 HOH +4190 1397 2 0.423800 12.163168 11.185305 19.785191 # 2 HOH +4191 1397 2 0.423800 12.614719 11.363874 21.396717 # 2 HOH +4192 1398 1 -0.847600 3.101782 38.984959 5.898605 # 1 HOH +4193 1398 2 0.423800 3.043082 39.972786 6.100656 # 2 HOH +4194 1398 2 0.423800 4.117540 38.683929 5.762551 # 2 HOH +4195 1399 1 -0.847600 37.172916 12.605346 41.004204 # 1 HOH +4196 1399 2 0.423800 37.024513 13.469805 40.441402 # 2 HOH +4197 1399 2 0.423800 37.620407 12.998135 41.870777 # 2 HOH +4198 1400 1 -0.847600 33.839287 8.288450 36.647709 # 1 HOH +4199 1400 2 0.423800 34.628197 8.139784 36.064274 # 2 HOH +4200 1400 2 0.423800 33.046036 7.971361 36.119339 # 2 HOH +4201 1401 1 -0.847600 30.528397 16.801239 10.347571 # 1 HOH +4202 1401 2 0.423800 30.920675 16.770041 9.461871 # 2 HOH +4203 1401 2 0.423800 29.922577 17.658518 10.303709 # 2 HOH +4204 1402 1 -0.847600 7.771914 11.827079 5.748270 # 1 HOH +4205 1402 2 0.423800 6.874102 12.016175 6.241162 # 2 HOH +4206 1402 2 0.423800 8.403396 12.353633 6.163758 # 2 HOH +4207 1403 1 -0.847600 29.600533 41.363476 11.653749 # 1 HOH +4208 1403 2 0.423800 29.064564 41.289494 12.530853 # 2 HOH +4209 1403 2 0.423800 30.442686 41.209694 12.009014 # 2 HOH +4210 1404 1 -0.847600 3.670919 31.504068 22.328585 # 1 HOH +4211 1404 2 0.423800 3.150414 32.105968 21.664259 # 2 HOH +4212 1404 2 0.423800 4.534180 32.073803 22.520725 # 2 HOH +4213 1405 1 -0.847600 33.390049 41.186153 32.098667 # 1 HOH +4214 1405 2 0.423800 33.567043 40.556309 32.935925 # 2 HOH +4215 1405 2 0.423800 33.675404 40.563629 31.293701 # 2 HOH +4216 1406 1 -0.847600 30.967051 35.478657 34.073128 # 1 HOH +4217 1406 2 0.423800 31.368612 34.660545 34.404041 # 2 HOH +4218 1406 2 0.423800 31.376625 36.233223 34.631779 # 2 HOH +4219 1407 1 -0.847600 23.792437 4.711398 27.159943 # 1 HOH +4220 1407 2 0.423800 24.369040 4.286788 26.418985 # 2 HOH +4221 1407 2 0.423800 24.287273 4.621250 27.989494 # 2 HOH +4222 1408 1 -0.847600 27.671259 0.120851 42.196377 # 1 HOH +4223 1408 2 0.423800 28.590525 0.050278 42.690346 # 2 HOH +4224 1408 2 0.423800 27.761854 -0.488081 41.481171 # 2 HOH +4225 1409 1 -0.847600 1.988316 19.841335 27.279459 # 1 HOH +4226 1409 2 0.423800 1.185870 19.546858 27.642517 # 2 HOH +4227 1409 2 0.423800 2.155343 20.859568 27.357462 # 2 HOH +4228 1410 1 -0.847600 21.575495 23.966503 8.102506 # 1 HOH +4229 1410 2 0.423800 21.944296 24.246994 8.956764 # 2 HOH +4230 1410 2 0.423800 22.195286 24.344477 7.421916 # 2 HOH +4231 1411 1 -0.847600 -0.126045 3.111226 41.218365 # 1 HOH +4232 1411 2 0.423800 0.377397 4.012155 41.152241 # 2 HOH +4233 1411 2 0.423800 -1.115129 3.264576 40.992695 # 2 HOH +4234 1412 1 -0.847600 37.485298 25.822958 14.987019 # 1 HOH +4235 1412 2 0.423800 37.644260 24.905443 14.537088 # 2 HOH +4236 1412 2 0.423800 36.495358 25.720545 15.339205 # 2 HOH +4237 1413 1 -0.847600 30.767939 4.630951 30.209488 # 1 HOH +4238 1413 2 0.423800 29.962923 5.062644 30.695105 # 2 HOH +4239 1413 2 0.423800 30.549458 3.600451 30.303802 # 2 HOH +4240 1414 1 -0.847600 36.827763 33.912266 11.466183 # 1 HOH +4241 1414 2 0.423800 36.314922 33.752785 10.569440 # 2 HOH +4242 1414 2 0.423800 37.768055 34.205936 11.154003 # 2 HOH +4243 1415 1 -0.847600 41.677574 37.956520 17.900175 # 1 HOH +4244 1415 2 0.423800 40.711716 38.199345 17.815685 # 2 HOH +4245 1415 2 0.423800 42.008743 38.388180 18.726500 # 2 HOH +4246 1416 1 -0.847600 43.060524 41.936066 0.941416 # 1 HOH +4247 1416 2 0.423800 42.779594 42.703316 1.571339 # 2 HOH +4248 1416 2 0.423800 42.885853 41.170204 1.605536 # 2 HOH +4249 1417 1 -0.847600 37.944088 0.995617 3.699325 # 1 HOH +4250 1417 2 0.423800 37.325764 0.474883 3.191997 # 2 HOH +4251 1417 2 0.423800 38.587738 0.359710 4.138934 # 2 HOH +4252 1418 1 -0.847600 16.548674 1.560724 23.096281 # 1 HOH +4253 1418 2 0.423800 17.074556 1.008271 23.759750 # 2 HOH +4254 1418 2 0.423800 17.236813 1.684747 22.429214 # 2 HOH +4255 1419 1 -0.847600 26.787809 37.164093 38.379429 # 1 HOH +4256 1419 2 0.423800 26.936155 37.941322 39.026402 # 2 HOH +4257 1419 2 0.423800 26.750576 36.292717 38.889732 # 2 HOH +4258 1420 1 -0.847600 36.606472 37.741180 6.542442 # 1 HOH +4259 1420 2 0.423800 37.449791 37.447845 7.118230 # 2 HOH +4260 1420 2 0.423800 36.627201 38.749992 6.624049 # 2 HOH +4261 1421 1 -0.847600 18.940104 1.100347 7.710618 # 1 HOH +4262 1421 2 0.423800 19.746737 1.392356 7.337786 # 2 HOH +4263 1421 2 0.423800 19.170225 1.268555 8.675557 # 2 HOH +4264 1422 1 -0.847600 38.905457 36.764076 27.519428 # 1 HOH +4265 1422 2 0.423800 39.846653 36.884407 27.190046 # 2 HOH +4266 1422 2 0.423800 38.695759 35.815140 27.274355 # 2 HOH +4267 1423 1 -0.847600 12.823013 18.184666 29.426208 # 1 HOH +4268 1423 2 0.423800 12.309473 17.841955 28.573814 # 2 HOH +4269 1423 2 0.423800 11.972234 18.662491 29.881134 # 2 HOH +4270 1424 1 -0.847600 27.727358 35.583534 14.856320 # 1 HOH +4271 1424 2 0.423800 28.377043 34.924030 15.215987 # 2 HOH +4272 1424 2 0.423800 27.086027 34.945786 14.489148 # 2 HOH +4273 1425 1 -0.847600 33.354622 40.867916 7.386547 # 1 HOH +4274 1425 2 0.423800 33.272045 41.322311 6.468887 # 2 HOH +4275 1425 2 0.423800 32.466312 40.983677 7.860825 # 2 HOH +4276 1426 1 -0.847600 1.572636 6.830113 19.985441 # 1 HOH +4277 1426 2 0.423800 2.472186 6.663826 20.228149 # 2 HOH +4278 1426 2 0.423800 1.464061 7.759624 20.204237 # 2 HOH +4279 1427 1 -0.847600 22.929598 28.336117 10.546669 # 1 HOH +4280 1427 2 0.423800 23.236464 29.131491 9.914684 # 2 HOH +4281 1427 2 0.423800 23.185797 27.576141 9.956123 # 2 HOH +4282 1428 1 -0.847600 25.619120 12.905721 24.863077 # 1 HOH +4283 1428 2 0.423800 25.742914 13.356137 25.740330 # 2 HOH +4284 1428 2 0.423800 26.479456 12.377769 24.785816 # 2 HOH +4285 1429 1 -0.847600 25.421270 1.209214 16.327681 # 1 HOH +4286 1429 2 0.423800 25.317518 0.243603 16.612799 # 2 HOH +4287 1429 2 0.423800 26.199686 1.396526 16.882439 # 2 HOH +4288 1430 1 -0.847600 8.017162 34.674847 39.370480 # 1 HOH +4289 1430 2 0.423800 8.838604 34.789761 39.964661 # 2 HOH +4290 1430 2 0.423800 8.115736 35.440853 38.660751 # 2 HOH +4291 1431 1 -0.847600 27.125963 36.613235 11.982252 # 1 HOH +4292 1431 2 0.423800 27.206228 37.479279 11.498062 # 2 HOH +4293 1431 2 0.423800 27.991850 36.592350 12.423567 # 2 HOH +4294 1432 1 -0.847600 13.169390 6.392692 19.452314 # 1 HOH +4295 1432 2 0.423800 13.026021 7.423099 19.640461 # 2 HOH +4296 1432 2 0.423800 12.368476 6.100968 20.022852 # 2 HOH +4297 1433 1 -0.847600 34.937141 35.432045 42.945992 # 1 HOH +4298 1433 2 0.423800 34.437984 34.681908 42.508610 # 2 HOH +4299 1433 2 0.423800 35.334469 35.920887 42.208462 # 2 HOH +4300 1434 1 -0.847600 17.793438 20.002363 25.142673 # 1 HOH +4301 1434 2 0.423800 17.365713 19.247448 25.377241 # 2 HOH +4302 1434 2 0.423800 17.320459 20.818945 25.481733 # 2 HOH +4303 1435 1 -0.847600 24.535181 39.444729 41.764374 # 1 HOH +4304 1435 2 0.423800 24.233828 38.632236 41.466419 # 2 HOH +4305 1435 2 0.423800 23.764687 40.081806 41.786949 # 2 HOH +4306 1436 1 -0.847600 28.268049 42.925888 40.308361 # 1 HOH +4307 1436 2 0.423800 28.881466 42.221603 40.623642 # 2 HOH +4308 1436 2 0.423800 28.997896 43.643501 40.277691 # 2 HOH +4309 1437 1 -0.847600 5.971467 38.351738 39.348957 # 1 HOH +4310 1437 2 0.423800 5.142851 38.816364 39.589428 # 2 HOH +4311 1437 2 0.423800 5.690939 37.445301 39.762108 # 2 HOH +4312 1438 1 -0.847600 17.428076 2.024950 16.603371 # 1 HOH +4313 1438 2 0.423800 18.374132 2.059457 16.297117 # 2 HOH +4314 1438 2 0.423800 16.903753 1.969443 15.665670 # 2 HOH +4315 1439 1 -0.847600 33.000282 35.937344 19.068327 # 1 HOH +4316 1439 2 0.423800 33.584541 36.759521 19.196465 # 2 HOH +4317 1439 2 0.423800 32.900356 35.622437 20.062714 # 2 HOH +4318 1440 1 -0.847600 3.098966 44.516048 3.588654 # 1 HOH +4319 1440 2 0.423800 3.010846 44.969398 4.477371 # 2 HOH +4320 1440 2 0.423800 4.039329 44.434219 3.478002 # 2 HOH +4321 1441 1 -0.847600 43.513466 8.121481 36.166206 # 1 HOH +4322 1441 2 0.423800 43.773190 7.519857 36.972210 # 2 HOH +4323 1441 2 0.423800 42.852528 8.789762 36.454281 # 2 HOH +4324 1442 1 -0.847600 21.094549 9.366629 37.510254 # 1 HOH +4325 1442 2 0.423800 20.811541 9.139149 38.328632 # 2 HOH +4326 1442 2 0.423800 21.706408 10.097942 37.824623 # 2 HOH +4327 1443 1 -0.847600 37.035278 12.492602 37.523975 # 1 HOH +4328 1443 2 0.423800 36.203232 12.125460 37.058289 # 2 HOH +4329 1443 2 0.423800 37.673492 11.710859 37.566715 # 2 HOH +4330 1444 1 -0.847600 1.461775 41.172729 38.527092 # 1 HOH +4331 1444 2 0.423800 0.764143 41.856411 38.289307 # 2 HOH +4332 1444 2 0.423800 0.839621 40.595356 39.055462 # 2 HOH +4333 1445 1 -0.847600 24.205811 3.085376 17.753851 # 1 HOH +4334 1445 2 0.423800 24.648739 2.343361 17.224998 # 2 HOH +4335 1445 2 0.423800 23.641083 2.605290 18.390768 # 2 HOH +4336 1446 1 -0.847600 40.939232 33.874069 30.998690 # 1 HOH +4337 1446 2 0.423800 41.009869 33.512455 30.103134 # 2 HOH +4338 1446 2 0.423800 40.809425 34.828697 30.924080 # 2 HOH +4339 1447 1 -0.847600 35.172523 37.855633 10.781463 # 1 HOH +4340 1447 2 0.423800 35.428452 37.108055 11.482894 # 2 HOH +4341 1447 2 0.423800 34.635071 37.347717 10.176978 # 2 HOH +4342 1448 1 -0.847600 34.346981 27.360292 30.498110 # 1 HOH +4343 1448 2 0.423800 33.792183 27.886442 29.882605 # 2 HOH +4344 1448 2 0.423800 33.779461 26.914085 31.272957 # 2 HOH +4345 1449 1 -0.847600 0.566704 11.015265 24.950691 # 1 HOH +4346 1449 2 0.423800 0.796347 11.678885 24.260794 # 2 HOH +4347 1449 2 0.423800 0.468685 11.595081 25.815031 # 2 HOH +4348 1450 1 -0.847600 7.293335 27.659748 18.417305 # 1 HOH +4349 1450 2 0.423800 6.804594 26.914070 18.783867 # 2 HOH +4350 1450 2 0.423800 8.203688 27.409637 18.601242 # 2 HOH +4351 1451 1 -0.847600 10.402644 27.292521 13.793672 # 1 HOH +4352 1451 2 0.423800 10.541067 27.259230 14.806494 # 2 HOH +4353 1451 2 0.423800 9.412074 27.260038 13.599259 # 2 HOH +4354 1452 1 -0.847600 19.429184 40.235439 26.557188 # 1 HOH +4355 1452 2 0.423800 18.414864 40.397766 26.383383 # 2 HOH +4356 1452 2 0.423800 19.421137 39.268703 26.907597 # 2 HOH +4357 1453 1 -0.847600 8.104645 26.702251 28.964035 # 1 HOH +4358 1453 2 0.423800 7.272534 27.156097 28.983810 # 2 HOH +4359 1453 2 0.423800 8.086247 26.131573 29.811745 # 2 HOH +4360 1454 1 -0.847600 9.315213 7.412204 35.052124 # 1 HOH +4361 1454 2 0.423800 10.104569 7.263424 34.526886 # 2 HOH +4362 1454 2 0.423800 8.736299 6.766979 34.514172 # 2 HOH +4363 1455 1 -0.847600 31.388371 40.554859 25.160442 # 1 HOH +4364 1455 2 0.423800 30.712990 41.150028 25.623312 # 2 HOH +4365 1455 2 0.423800 32.044971 40.450733 25.861639 # 2 HOH +4366 1456 1 -0.847600 38.488575 15.318243 15.654800 # 1 HOH +4367 1456 2 0.423800 38.603153 14.622470 14.998449 # 2 HOH +4368 1456 2 0.423800 39.197006 15.944891 15.217072 # 2 HOH +4369 1457 1 -0.847600 2.604331 30.920485 27.158640 # 1 HOH +4370 1457 2 0.423800 2.031350 30.305191 27.744850 # 2 HOH +4371 1457 2 0.423800 2.441760 31.759611 27.633324 # 2 HOH +4372 1458 1 -0.847600 7.176376 20.071560 14.766267 # 1 HOH +4373 1458 2 0.423800 8.171086 19.921511 15.028538 # 2 HOH +4374 1458 2 0.423800 7.260132 20.810833 14.068733 # 2 HOH +4375 1459 1 -0.847600 40.033970 21.199390 28.555183 # 1 HOH +4376 1459 2 0.423800 39.185173 21.808811 28.510632 # 2 HOH +4377 1459 2 0.423800 40.366547 20.998707 29.459970 # 2 HOH +4378 1460 1 -0.847600 4.562769 35.111584 21.611418 # 1 HOH +4379 1460 2 0.423800 4.212076 35.840042 21.150616 # 2 HOH +4380 1460 2 0.423800 3.931662 34.845524 22.353165 # 2 HOH +4381 1461 1 -0.847600 7.800090 29.321922 8.533645 # 1 HOH +4382 1461 2 0.423800 8.723605 29.121521 8.661720 # 2 HOH +4383 1461 2 0.423800 7.748763 30.246111 8.220429 # 2 HOH +4384 1462 1 -0.847600 1.175900 23.127279 15.801122 # 1 HOH +4385 1462 2 0.423800 2.013509 22.758430 15.820320 # 2 HOH +4386 1462 2 0.423800 0.591573 22.519180 15.236995 # 2 HOH +4387 1463 1 -0.847600 38.823906 12.079443 17.989569 # 1 HOH +4388 1463 2 0.423800 38.646576 11.912846 16.947512 # 2 HOH +4389 1463 2 0.423800 38.963612 11.072180 18.195786 # 2 HOH +4390 1464 1 -0.847600 41.475700 32.734962 12.127533 # 1 HOH +4391 1464 2 0.423800 41.589500 33.723431 12.137898 # 2 HOH +4392 1464 2 0.423800 40.838924 32.517246 11.359071 # 2 HOH +4393 1465 1 -0.847600 0.850028 1.755246 10.456045 # 1 HOH +4394 1465 2 0.423800 0.938377 1.744846 11.470746 # 2 HOH +4395 1465 2 0.423800 1.730866 1.530751 10.158106 # 2 HOH +4396 1466 1 -0.847600 23.540266 5.469728 31.005072 # 1 HOH +4397 1466 2 0.423800 24.416843 5.196822 30.607391 # 2 HOH +4398 1466 2 0.423800 23.331785 6.298910 30.495653 # 2 HOH +4399 1467 1 -0.847600 19.395638 8.940311 21.138750 # 1 HOH +4400 1467 2 0.423800 20.040680 9.312856 20.467058 # 2 HOH +4401 1467 2 0.423800 19.438213 9.471245 22.032970 # 2 HOH +4402 1468 1 -0.847600 23.841282 7.186393 36.782352 # 1 HOH +4403 1468 2 0.423800 23.354565 7.548521 37.609882 # 2 HOH +4404 1468 2 0.423800 23.135319 6.628098 36.197086 # 2 HOH +4405 1469 1 -0.847600 22.317898 40.055317 3.391961 # 1 HOH +4406 1469 2 0.423800 23.333544 40.141518 3.075587 # 2 HOH +4407 1469 2 0.423800 22.024120 41.051651 3.094018 # 2 HOH +4408 1470 1 -0.847600 39.207420 34.810375 10.826012 # 1 HOH +4409 1470 2 0.423800 39.108860 35.743099 10.762196 # 2 HOH +4410 1470 2 0.423800 40.141178 34.649704 10.707371 # 2 HOH +4411 1471 1 -0.847600 14.724957 8.842770 7.375711 # 1 HOH +4412 1471 2 0.423800 15.425349 8.328280 7.155758 # 2 HOH +4413 1471 2 0.423800 15.119178 9.747828 7.358490 # 2 HOH +4414 1472 1 -0.847600 40.543167 42.121498 41.986725 # 1 HOH +4415 1472 2 0.423800 40.389942 41.352840 41.462326 # 2 HOH +4416 1472 2 0.423800 41.494987 42.004974 42.327888 # 2 HOH +4417 1473 1 -0.847600 22.856997 0.432336 33.783257 # 1 HOH +4418 1473 2 0.423800 22.075291 1.009558 34.175106 # 2 HOH +4419 1473 2 0.423800 23.747902 0.702348 34.254208 # 2 HOH +4420 1474 1 -0.847600 13.985514 40.648952 34.299080 # 1 HOH +4421 1474 2 0.423800 14.576314 41.517090 34.218155 # 2 HOH +4422 1474 2 0.423800 14.221103 40.438068 35.267193 # 2 HOH +4423 1475 1 -0.847600 35.215336 39.833588 23.408516 # 1 HOH +4424 1475 2 0.423800 35.576752 40.487175 23.999205 # 2 HOH +4425 1475 2 0.423800 34.211643 40.152897 23.342842 # 2 HOH +4426 1476 1 -0.847600 42.385670 28.022816 34.353336 # 1 HOH +4427 1476 2 0.423800 42.689556 27.937424 35.293003 # 2 HOH +4428 1476 2 0.423800 42.655472 27.173101 33.909927 # 2 HOH +4429 1477 1 -0.847600 26.416815 15.955543 11.316958 # 1 HOH +4430 1477 2 0.423800 27.347256 15.751738 11.679112 # 2 HOH +4431 1477 2 0.423800 26.549900 16.367622 10.386509 # 2 HOH +4432 1478 1 -0.847600 13.851055 10.770313 15.228242 # 1 HOH +4433 1478 2 0.423800 13.933940 10.944505 14.212541 # 2 HOH +4434 1478 2 0.423800 13.331287 9.848659 15.161294 # 2 HOH +4435 1479 1 -0.847600 4.645175 31.261820 34.231224 # 1 HOH +4436 1479 2 0.423800 5.448328 31.638659 33.889664 # 2 HOH +4437 1479 2 0.423800 3.913602 31.715176 33.736782 # 2 HOH +4438 1480 1 -0.847600 -0.623406 14.760609 16.657003 # 1 HOH +4439 1480 2 0.423800 -0.659553 15.550189 17.227421 # 2 HOH +4440 1480 2 0.423800 0.154974 14.254667 17.079508 # 2 HOH +4441 1481 1 -0.847600 24.650642 32.946880 16.065042 # 1 HOH +4442 1481 2 0.423800 25.449186 33.040409 16.744318 # 2 HOH +4443 1481 2 0.423800 25.031778 33.341614 15.265543 # 2 HOH +4444 1482 1 -0.847600 15.198931 27.232773 33.421707 # 1 HOH +4445 1482 2 0.423800 15.596711 26.835661 34.255367 # 2 HOH +4446 1482 2 0.423800 15.409858 28.255125 33.217079 # 2 HOH +4447 1483 1 -0.847600 34.361534 22.556049 17.277212 # 1 HOH +4448 1483 2 0.423800 33.542747 22.922850 17.618591 # 2 HOH +4449 1483 2 0.423800 34.245556 21.541374 17.662859 # 2 HOH +4450 1484 1 -0.847600 35.636833 34.622562 3.153512 # 1 HOH +4451 1484 2 0.423800 36.441051 33.985104 3.336661 # 2 HOH +4452 1484 2 0.423800 35.683186 34.741470 2.107545 # 2 HOH +4453 1485 1 -0.847600 13.632794 26.718639 22.287987 # 1 HOH +4454 1485 2 0.423800 14.152241 25.905581 22.627306 # 2 HOH +4455 1485 2 0.423800 13.513042 26.382000 21.301941 # 2 HOH +4456 1486 1 -0.847600 39.049450 4.008763 27.275740 # 1 HOH +4457 1486 2 0.423800 39.142338 3.749857 26.212633 # 2 HOH +4458 1486 2 0.423800 39.394402 3.186002 27.649506 # 2 HOH +4459 1487 1 -0.847600 36.853073 32.149155 17.212835 # 1 HOH +4460 1487 2 0.423800 37.274101 32.952717 17.089905 # 2 HOH +4461 1487 2 0.423800 37.012722 31.538546 16.382830 # 2 HOH +4462 1488 1 -0.847600 19.092075 22.017855 38.649715 # 1 HOH +4463 1488 2 0.423800 19.289339 22.867512 38.198620 # 2 HOH +4464 1488 2 0.423800 18.560734 22.309420 39.585484 # 2 HOH +4465 1489 1 -0.847600 23.266563 30.791849 9.558964 # 1 HOH +4466 1489 2 0.423800 22.312365 30.680983 9.209075 # 2 HOH +4467 1489 2 0.423800 23.274921 31.497501 10.322906 # 2 HOH +4468 1490 1 -0.847600 21.540977 25.388350 13.097961 # 1 HOH +4469 1490 2 0.423800 20.707504 25.148750 13.647701 # 2 HOH +4470 1490 2 0.423800 21.304564 26.383070 12.861519 # 2 HOH +4471 1491 1 -0.847600 6.397385 36.384914 35.922909 # 1 HOH +4472 1491 2 0.423800 6.372058 37.273884 35.325504 # 2 HOH +4473 1491 2 0.423800 7.251929 36.337425 36.452591 # 2 HOH +4474 1492 1 -0.847600 24.976944 14.311135 12.944199 # 1 HOH +4475 1492 2 0.423800 24.368755 14.790790 13.542217 # 2 HOH +4476 1492 2 0.423800 25.500443 14.979051 12.458633 # 2 HOH +4477 1493 1 -0.847600 1.644110 14.131226 17.828428 # 1 HOH +4478 1493 2 0.423800 1.667692 13.824043 18.843996 # 2 HOH +4479 1493 2 0.423800 2.278322 14.904470 17.772089 # 2 HOH +4480 1494 1 -0.847600 36.925354 1.125619 36.402416 # 1 HOH +4481 1494 2 0.423800 36.927521 1.579695 37.385189 # 2 HOH +4482 1494 2 0.423800 36.900955 1.894126 35.656254 # 2 HOH +4483 1495 1 -0.847600 37.170212 21.548763 1.973956 # 1 HOH +4484 1495 2 0.423800 37.076797 21.561821 0.958905 # 2 HOH +4485 1495 2 0.423800 38.068974 22.086620 2.053808 # 2 HOH +4486 1496 1 -0.847600 36.836208 25.890226 10.030516 # 1 HOH +4487 1496 2 0.423800 36.023640 25.830097 10.563369 # 2 HOH +4488 1496 2 0.423800 36.900295 26.809496 9.764174 # 2 HOH +4489 1497 1 -0.847600 17.326323 12.056864 10.708659 # 1 HOH +4490 1497 2 0.423800 18.099684 11.484888 10.650746 # 2 HOH +4491 1497 2 0.423800 17.651133 12.947021 10.408113 # 2 HOH +4492 1498 1 -0.847600 27.304419 7.020783 34.431709 # 1 HOH +4493 1498 2 0.423800 26.963058 6.668684 35.275539 # 2 HOH +4494 1498 2 0.423800 28.013187 6.527552 34.105579 # 2 HOH +4495 1499 1 -0.847600 2.138051 15.522151 11.920649 # 1 HOH +4496 1499 2 0.423800 2.342581 15.700062 10.952814 # 2 HOH +4497 1499 2 0.423800 1.182388 15.693694 12.039052 # 2 HOH +4498 1500 1 -0.847600 14.423104 32.533955 25.574373 # 1 HOH +4499 1500 2 0.423800 14.739671 31.767441 25.146687 # 2 HOH +4500 1500 2 0.423800 14.368520 33.140503 24.808775 # 2 HOH +4501 1501 1 -0.847600 2.415278 29.969999 17.229498 # 1 HOH +4502 1501 2 0.423800 1.754334 30.408409 17.834316 # 2 HOH +4503 1501 2 0.423800 1.890206 29.848295 16.355623 # 2 HOH +4504 1502 1 -0.847600 21.213213 43.073181 13.156045 # 1 HOH +4505 1502 2 0.423800 21.662119 42.205044 13.183990 # 2 HOH +4506 1502 2 0.423800 20.352692 42.922100 13.616817 # 2 HOH +4507 1503 1 -0.847600 34.937508 11.385933 36.324120 # 1 HOH +4508 1503 2 0.423800 34.658997 10.502926 36.271793 # 2 HOH +4509 1503 2 0.423800 34.581108 11.772602 35.563000 # 2 HOH +4510 1504 1 -0.847600 14.838253 19.024385 32.862106 # 1 HOH +4511 1504 2 0.423800 14.352598 19.875614 33.146797 # 2 HOH +4512 1504 2 0.423800 15.748477 19.392019 32.597862 # 2 HOH +4513 1505 1 -0.847600 19.975632 11.649751 5.358014 # 1 HOH +4514 1505 2 0.423800 20.958881 11.817552 5.655073 # 2 HOH +4515 1505 2 0.423800 19.860050 10.749942 5.657837 # 2 HOH +4516 1506 1 -0.847600 25.921282 6.364276 32.067326 # 1 HOH +4517 1506 2 0.423800 26.343828 6.733438 32.902153 # 2 HOH +4518 1506 2 0.423800 25.009047 6.130401 32.305054 # 2 HOH +4519 1507 1 -0.847600 24.472933 39.721493 6.149487 # 1 HOH +4520 1507 2 0.423800 25.442999 39.912952 5.801992 # 2 HOH +4521 1507 2 0.423800 24.040670 39.148060 5.544292 # 2 HOH +4522 1508 1 -0.847600 37.752220 16.453928 12.544403 # 1 HOH +4523 1508 2 0.423800 38.178322 17.234873 13.037902 # 2 HOH +4524 1508 2 0.423800 36.784359 16.754255 12.322194 # 2 HOH +4525 1509 1 -0.847600 15.482635 32.204906 6.307847 # 1 HOH +4526 1509 2 0.423800 14.451698 32.409691 6.067912 # 2 HOH +4527 1509 2 0.423800 15.445738 31.192272 6.557619 # 2 HOH +4528 1510 1 -0.847600 18.918028 33.044102 31.619167 # 1 HOH +4529 1510 2 0.423800 19.118029 32.924805 30.741095 # 2 HOH +4530 1510 2 0.423800 19.474743 33.896336 31.906412 # 2 HOH +4531 1511 1 -0.847600 17.740091 29.360172 17.706722 # 1 HOH +4532 1511 2 0.423800 18.240513 29.774540 16.928120 # 2 HOH +4533 1511 2 0.423800 18.028572 28.449121 17.733892 # 2 HOH +4534 1512 1 -0.847600 20.772181 11.485618 30.010847 # 1 HOH +4535 1512 2 0.423800 20.815655 11.951287 29.132883 # 2 HOH +4536 1512 2 0.423800 20.202106 10.660836 29.719425 # 2 HOH +4537 1513 1 -0.847600 15.637628 42.417759 38.789783 # 1 HOH +4538 1513 2 0.423800 15.488670 42.000572 39.756084 # 2 HOH +4539 1513 2 0.423800 15.843230 43.345432 38.958511 # 2 HOH +4540 1514 1 -0.847600 27.396936 42.631371 28.066275 # 1 HOH +4541 1514 2 0.423800 27.401134 43.028900 29.024126 # 2 HOH +4542 1514 2 0.423800 26.373470 42.565121 27.869406 # 2 HOH +4543 1515 1 -0.847600 9.002298 38.207081 28.760590 # 1 HOH +4544 1515 2 0.423800 9.941952 37.852352 29.085039 # 2 HOH +4545 1515 2 0.423800 8.607450 37.515995 28.331818 # 2 HOH +4546 1516 1 -0.847600 24.358370 34.484253 2.555807 # 1 HOH +4547 1516 2 0.423800 24.844854 34.880264 1.748622 # 2 HOH +4548 1516 2 0.423800 25.128942 34.210083 3.118665 # 2 HOH +4549 1517 1 -0.847600 39.792747 21.782869 22.243559 # 1 HOH +4550 1517 2 0.423800 40.313320 21.807312 23.148079 # 2 HOH +4551 1517 2 0.423800 40.409733 21.594028 21.517326 # 2 HOH +4552 1518 1 -0.847600 25.276184 25.307478 21.317516 # 1 HOH +4553 1518 2 0.423800 25.501793 26.126608 20.764645 # 2 HOH +4554 1518 2 0.423800 24.737780 24.767357 20.688534 # 2 HOH +4555 1519 1 -0.847600 40.634636 0.756286 19.153830 # 1 HOH +4556 1519 2 0.423800 41.415993 1.301975 19.374695 # 2 HOH +4557 1519 2 0.423800 40.341480 0.391404 20.083113 # 2 HOH +4558 1520 1 -0.847600 25.686216 18.926737 37.381680 # 1 HOH +4559 1520 2 0.423800 24.741066 18.763008 37.580837 # 2 HOH +4560 1520 2 0.423800 26.113644 18.056349 37.655056 # 2 HOH +4561 1521 1 -0.847600 26.192003 14.688332 4.408859 # 1 HOH +4562 1521 2 0.423800 26.891863 14.373841 3.821921 # 2 HOH +4563 1521 2 0.423800 25.415081 14.234954 3.921167 # 2 HOH +4564 1522 1 -0.847600 15.089670 22.360470 20.405302 # 1 HOH +4565 1522 2 0.423800 15.216963 22.148121 19.398954 # 2 HOH +4566 1522 2 0.423800 15.200473 21.417772 20.873684 # 2 HOH +4567 1523 1 -0.847600 19.859856 2.072477 10.165236 # 1 HOH +4568 1523 2 0.423800 19.884850 1.535579 11.009171 # 2 HOH +4569 1523 2 0.423800 20.487255 2.826147 10.391057 # 2 HOH +4570 1524 1 -0.847600 22.783941 34.950966 32.714016 # 1 HOH +4571 1524 2 0.423800 23.653702 34.781178 32.232079 # 2 HOH +4572 1524 2 0.423800 22.069920 34.549088 32.213089 # 2 HOH +4573 1525 1 -0.847600 23.613657 33.597610 5.454283 # 1 HOH +4574 1525 2 0.423800 23.363510 32.616291 5.574968 # 2 HOH +4575 1525 2 0.423800 22.740328 34.008888 5.733046 # 2 HOH +4576 1526 1 -0.847600 16.613153 0.365900 6.430421 # 1 HOH +4577 1526 2 0.423800 17.254055 0.905603 6.992392 # 2 HOH +4578 1526 2 0.423800 17.256210 -0.118847 5.766805 # 2 HOH +4579 1527 1 -0.847600 25.942253 28.370537 27.407728 # 1 HOH +4580 1527 2 0.423800 24.947950 28.152935 27.599501 # 2 HOH +4581 1527 2 0.423800 26.369814 27.502470 27.209217 # 2 HOH +4582 1528 1 -0.847600 25.298197 11.073285 10.446387 # 1 HOH +4583 1528 2 0.423800 24.669725 11.113840 11.222060 # 2 HOH +4584 1528 2 0.423800 25.647923 12.062946 10.277645 # 2 HOH +4585 1529 1 -0.847600 14.581782 40.002514 3.369155 # 1 HOH +4586 1529 2 0.423800 14.937059 40.478531 4.018665 # 2 HOH +4587 1529 2 0.423800 15.215833 39.329437 3.063035 # 2 HOH +4588 1530 1 -0.847600 28.083027 36.553158 5.327996 # 1 HOH +4589 1530 2 0.423800 28.277899 37.438641 5.765007 # 2 HOH +4590 1530 2 0.423800 27.099115 36.366104 5.310334 # 2 HOH +4591 1531 1 -0.847600 26.015888 40.226452 23.593100 # 1 HOH +4592 1531 2 0.423800 25.245134 39.796471 23.049419 # 2 HOH +4593 1531 2 0.423800 25.640726 40.342262 24.524509 # 2 HOH +4594 1532 1 -0.847600 42.447685 14.239954 8.884232 # 1 HOH +4595 1532 2 0.423800 41.628502 14.550823 8.381787 # 2 HOH +4596 1532 2 0.423800 42.395344 13.324881 8.769673 # 2 HOH +4597 1533 1 -0.847600 30.155161 5.600298 22.590033 # 1 HOH +4598 1533 2 0.423800 30.608562 4.894205 23.162169 # 2 HOH +4599 1533 2 0.423800 30.747381 6.428178 22.541054 # 2 HOH +4600 1534 1 -0.847600 9.370498 25.042301 0.838378 # 1 HOH +4601 1534 2 0.423800 8.345198 25.015919 1.095426 # 2 HOH +4602 1534 2 0.423800 9.298094 25.493734 -0.110330 # 2 HOH +4603 1535 1 -0.847600 10.717509 21.902124 37.933918 # 1 HOH +4604 1535 2 0.423800 10.602609 20.942553 38.236412 # 2 HOH +4605 1535 2 0.423800 10.380341 21.936983 36.992641 # 2 HOH +4606 1536 1 -0.847600 16.863380 9.306580 35.825111 # 1 HOH +4607 1536 2 0.423800 17.606226 8.706521 35.524693 # 2 HOH +4608 1536 2 0.423800 16.693573 8.892390 36.733788 # 2 HOH +4609 1537 1 -0.847600 16.420029 5.043203 11.781283 # 1 HOH +4610 1537 2 0.423800 17.329741 5.504322 11.843315 # 2 HOH +4611 1537 2 0.423800 16.506435 4.326726 11.060584 # 2 HOH +4612 1538 1 -0.847600 8.987345 15.792482 1.145036 # 1 HOH +4613 1538 2 0.423800 8.413198 16.696476 1.026173 # 2 HOH +4614 1538 2 0.423800 9.260527 15.482258 0.238762 # 2 HOH +4615 1539 1 -0.847600 9.760100 7.123799 4.208049 # 1 HOH +4616 1539 2 0.423800 10.001599 7.390244 3.399742 # 2 HOH +4617 1539 2 0.423800 9.275972 7.745400 4.791085 # 2 HOH +4618 1540 1 -0.847600 5.849927 32.290077 41.913223 # 1 HOH +4619 1540 2 0.423800 5.899862 32.956036 41.098221 # 2 HOH +4620 1540 2 0.423800 6.132948 32.763992 42.734283 # 2 HOH +4621 1541 1 -0.847600 27.090473 31.791237 30.649057 # 1 HOH +4622 1541 2 0.423800 26.790405 32.497894 31.341948 # 2 HOH +4623 1541 2 0.423800 28.103018 31.816872 30.600079 # 2 HOH +4624 1542 1 -0.847600 28.243151 9.726339 9.592999 # 1 HOH +4625 1542 2 0.423800 27.532755 10.333776 9.623507 # 2 HOH +4626 1542 2 0.423800 28.281025 9.304075 8.621601 # 2 HOH +4627 1543 1 -0.847600 16.135305 11.137729 29.533861 # 1 HOH +4628 1543 2 0.423800 16.501623 11.756499 28.847742 # 2 HOH +4629 1543 2 0.423800 15.152430 11.434278 29.628143 # 2 HOH +4630 1544 1 -0.847600 5.254499 4.833175 13.012675 # 1 HOH +4631 1544 2 0.423800 5.523794 5.250540 13.825848 # 2 HOH +4632 1544 2 0.423800 5.961229 4.806868 12.345449 # 2 HOH +4633 1545 1 -0.847600 15.033379 9.136121 22.865950 # 1 HOH +4634 1545 2 0.423800 15.207514 9.247930 21.847244 # 2 HOH +4635 1545 2 0.423800 15.731464 8.511299 23.165644 # 2 HOH +4636 1546 1 -0.847600 16.596497 42.203087 11.091472 # 1 HOH +4637 1546 2 0.423800 16.724669 42.873581 10.287740 # 2 HOH +4638 1546 2 0.423800 17.522337 41.762352 11.119292 # 2 HOH +4639 1547 1 -0.847600 10.137650 35.131721 32.793800 # 1 HOH +4640 1547 2 0.423800 10.098423 34.557953 31.953804 # 2 HOH +4641 1547 2 0.423800 9.435735 34.642727 33.300560 # 2 HOH +4642 1548 1 -0.847600 6.255873 21.639132 42.017078 # 1 HOH +4643 1548 2 0.423800 7.125916 22.112513 41.819214 # 2 HOH +4644 1548 2 0.423800 6.284441 20.969164 41.278843 # 2 HOH +4645 1549 1 -0.847600 20.577250 4.928567 42.105103 # 1 HOH +4646 1549 2 0.423800 20.723164 5.281370 41.188171 # 2 HOH +4647 1549 2 0.423800 19.664083 4.440551 42.104893 # 2 HOH +4648 1550 1 -0.847600 28.776806 23.805668 3.800980 # 1 HOH +4649 1550 2 0.423800 28.025288 23.578880 4.560243 # 2 HOH +4650 1550 2 0.423800 29.530733 24.104010 4.328747 # 2 HOH +4651 1551 1 -0.847600 15.465288 10.682166 39.214802 # 1 HOH +4652 1551 2 0.423800 15.897942 10.069125 39.792835 # 2 HOH +4653 1551 2 0.423800 15.052572 11.533626 39.723289 # 2 HOH +4654 1552 1 -0.847600 38.861946 41.094334 33.415077 # 1 HOH +4655 1552 2 0.423800 39.810654 41.536411 33.236835 # 2 HOH +4656 1552 2 0.423800 38.104904 41.647705 33.175259 # 2 HOH +4657 1553 1 -0.847600 29.644722 41.290913 19.509073 # 1 HOH +4658 1553 2 0.423800 29.160858 42.123554 19.242586 # 2 HOH +4659 1553 2 0.423800 29.159269 40.643200 18.793159 # 2 HOH +4660 1554 1 -0.847600 7.724838 16.080465 39.496552 # 1 HOH +4661 1554 2 0.423800 7.852454 15.825602 38.517429 # 2 HOH +4662 1554 2 0.423800 8.395325 15.540146 40.016811 # 2 HOH +4663 1555 1 -0.847600 13.228239 7.727201 38.588062 # 1 HOH +4664 1555 2 0.423800 13.080966 8.459802 37.979710 # 2 HOH +4665 1555 2 0.423800 12.485968 7.086709 38.280910 # 2 HOH +4666 1556 1 -0.847600 18.350733 28.440765 12.623747 # 1 HOH +4667 1556 2 0.423800 17.302393 28.679724 12.421597 # 2 HOH +4668 1556 2 0.423800 18.885077 29.239973 12.369288 # 2 HOH +4669 1557 1 -0.847600 24.395475 38.427139 34.139946 # 1 HOH +4670 1557 2 0.423800 23.566782 37.988316 34.524612 # 2 HOH +4671 1557 2 0.423800 24.209764 39.054752 33.490620 # 2 HOH +4672 1558 1 -0.847600 38.335548 7.548523 24.586592 # 1 HOH +4673 1558 2 0.423800 38.931263 7.518175 23.790171 # 2 HOH +4674 1558 2 0.423800 38.878307 7.334197 25.442022 # 2 HOH +4675 1559 1 -0.847600 15.795715 23.821243 8.707336 # 1 HOH +4676 1559 2 0.423800 15.095811 23.333075 8.319761 # 2 HOH +4677 1559 2 0.423800 15.981193 24.495213 8.029608 # 2 HOH +4678 1560 1 -0.847600 39.505527 22.943583 1.682898 # 1 HOH +4679 1560 2 0.423800 39.326725 24.005577 1.763989 # 2 HOH +4680 1560 2 0.423800 39.585949 22.749519 0.736463 # 2 HOH +4681 1561 1 -0.847600 21.144312 2.195269 35.025803 # 1 HOH +4682 1561 2 0.423800 21.509386 2.648900 35.868340 # 2 HOH +4683 1561 2 0.423800 20.925545 3.061859 34.486843 # 2 HOH +4684 1562 1 -0.847600 13.475812 12.033114 29.108320 # 1 HOH +4685 1562 2 0.423800 13.312078 12.949036 28.680618 # 2 HOH +4686 1562 2 0.423800 12.669717 11.654887 29.446192 # 2 HOH +4687 1563 1 -0.847600 25.168882 16.623756 7.588475 # 1 HOH +4688 1563 2 0.423800 25.463125 17.315733 7.000980 # 2 HOH +4689 1563 2 0.423800 25.797182 16.591555 8.307461 # 2 HOH +4690 1564 1 -0.847600 25.614229 5.926862 12.107382 # 1 HOH +4691 1564 2 0.423800 25.931005 6.351928 12.877486 # 2 HOH +4692 1564 2 0.423800 24.997492 5.182351 12.388446 # 2 HOH +4693 1565 1 -0.847600 3.364950 25.567564 15.023548 # 1 HOH +4694 1565 2 0.423800 3.480097 26.157873 15.770411 # 2 HOH +4695 1565 2 0.423800 3.597161 24.666601 15.265125 # 2 HOH +4696 1566 1 -0.847600 13.623145 17.367212 38.458515 # 1 HOH +4697 1566 2 0.423800 13.076997 17.468828 39.346157 # 2 HOH +4698 1566 2 0.423800 14.302751 16.613344 38.610405 # 2 HOH +4699 1567 1 -0.847600 6.508372 33.621925 2.547557 # 1 HOH +4700 1567 2 0.423800 7.183939 33.345360 1.933414 # 2 HOH +4701 1567 2 0.423800 6.353014 34.580532 2.397533 # 2 HOH +4702 1568 1 -0.847600 18.037119 6.925917 28.970959 # 1 HOH +4703 1568 2 0.423800 17.181910 7.319494 28.731640 # 2 HOH +4704 1568 2 0.423800 17.802586 6.359779 29.774702 # 2 HOH +4705 1569 1 -0.847600 6.942946 16.580547 24.688354 # 1 HOH +4706 1569 2 0.423800 6.790095 17.535400 25.029657 # 2 HOH +4707 1569 2 0.423800 6.499023 16.151064 25.436106 # 2 HOH +4708 1570 1 -0.847600 39.410656 30.741753 34.457760 # 1 HOH +4709 1570 2 0.423800 38.943958 31.179220 33.632801 # 2 HOH +4710 1570 2 0.423800 38.821331 30.845488 35.295139 # 2 HOH +4711 1571 1 -0.847600 39.157711 9.665170 26.959082 # 1 HOH +4712 1571 2 0.423800 39.919102 9.306932 26.383158 # 2 HOH +4713 1571 2 0.423800 38.726181 10.577407 26.503702 # 2 HOH +4714 1572 1 -0.847600 17.642084 -0.542908 21.482178 # 1 HOH +4715 1572 2 0.423800 17.037653 -0.961723 22.092697 # 2 HOH +4716 1572 2 0.423800 17.145985 0.028983 20.843575 # 2 HOH +4717 1573 1 -0.847600 26.756889 22.563910 -0.354720 # 1 HOH +4718 1573 2 0.423800 27.270933 22.546705 0.510602 # 2 HOH +4719 1573 2 0.423800 26.688433 23.447781 -0.783019 # 2 HOH +4720 1574 1 -0.847600 9.056563 43.706001 23.786486 # 1 HOH +4721 1574 2 0.423800 9.967196 43.430191 23.816298 # 2 HOH +4722 1574 2 0.423800 8.934466 44.098545 24.677546 # 2 HOH +4723 1575 1 -0.847600 5.503075 29.562801 3.956452 # 1 HOH +4724 1575 2 0.423800 4.780796 29.726013 4.626935 # 2 HOH +4725 1575 2 0.423800 6.304662 29.310930 4.545159 # 2 HOH +4726 1576 1 -0.847600 41.593918 45.628994 33.444256 # 1 HOH +4727 1576 2 0.423800 42.106434 45.579552 34.263809 # 2 HOH +4728 1576 2 0.423800 41.179752 44.741310 33.282005 # 2 HOH +4729 1577 1 -0.847600 5.069622 43.606945 26.979258 # 1 HOH +4730 1577 2 0.423800 4.204241 43.184826 26.712284 # 2 HOH +4731 1577 2 0.423800 5.497489 42.832188 27.444647 # 2 HOH +4732 1578 1 -0.847600 8.375989 20.778498 24.555784 # 1 HOH +4733 1578 2 0.423800 7.551504 20.290382 24.743200 # 2 HOH +4734 1578 2 0.423800 8.503884 20.535894 23.557034 # 2 HOH +4735 1579 1 -0.847600 40.612358 30.440054 22.744215 # 1 HOH +4736 1579 2 0.423800 40.271984 30.266754 23.728666 # 2 HOH +4737 1579 2 0.423800 41.262775 29.698584 22.420315 # 2 HOH +4738 1580 1 -0.847600 17.896740 38.864525 28.543377 # 1 HOH +4739 1580 2 0.423800 17.434706 39.516403 29.064251 # 2 HOH +4740 1580 2 0.423800 17.451756 37.922600 28.499746 # 2 HOH +4741 1581 1 -0.847600 7.302421 20.750717 6.152954 # 1 HOH +4742 1581 2 0.423800 7.136497 20.577751 7.136485 # 2 HOH +4743 1581 2 0.423800 6.513818 21.282267 5.822036 # 2 HOH +4744 1582 1 -0.847600 19.112026 24.680782 9.135470 # 1 HOH +4745 1582 2 0.423800 19.400446 25.611666 9.193101 # 2 HOH +4746 1582 2 0.423800 19.889929 24.256884 8.607977 # 2 HOH +4747 1583 1 -0.847600 22.868725 12.208648 24.669611 # 1 HOH +4748 1583 2 0.423800 23.835106 12.591254 24.752668 # 2 HOH +4749 1583 2 0.423800 22.558102 12.373133 23.745543 # 2 HOH +4750 1584 1 -0.847600 29.733444 32.034611 31.069340 # 1 HOH +4751 1584 2 0.423800 29.853239 32.524101 31.965225 # 2 HOH +4752 1584 2 0.423800 30.545071 32.171997 30.582029 # 2 HOH +4753 1585 1 -0.847600 8.139542 26.347559 3.606003 # 1 HOH +4754 1585 2 0.423800 7.725128 25.930265 2.853920 # 2 HOH +4755 1585 2 0.423800 8.021749 25.561779 4.253661 # 2 HOH +4756 1586 1 -0.847600 10.363154 32.714378 23.355917 # 1 HOH +4757 1586 2 0.423800 10.832418 32.110783 24.041048 # 2 HOH +4758 1586 2 0.423800 9.494561 33.046497 23.712767 # 2 HOH +4759 1587 1 -0.847600 15.023602 19.996014 41.641323 # 1 HOH +4760 1587 2 0.423800 15.939145 19.769976 41.265434 # 2 HOH +4761 1587 2 0.423800 14.988470 20.935804 41.407043 # 2 HOH +4762 1588 1 -0.847600 0.770754 19.903160 9.513119 # 1 HOH +4763 1588 2 0.423800 0.121068 19.202499 9.282482 # 2 HOH +4764 1588 2 0.423800 0.443475 20.728336 8.884276 # 2 HOH +4765 1589 1 -0.847600 20.981125 40.683907 24.413956 # 1 HOH +4766 1589 2 0.423800 21.590855 41.513512 24.448637 # 2 HOH +4767 1589 2 0.423800 20.647949 40.500317 25.422050 # 2 HOH +4768 1590 1 -0.847600 39.840199 25.624832 27.194685 # 1 HOH +4769 1590 2 0.423800 39.516266 25.546297 28.201782 # 2 HOH +4770 1590 2 0.423800 40.771858 25.878304 27.102545 # 2 HOH +4771 1591 1 -0.847600 33.911533 21.793877 39.509109 # 1 HOH +4772 1591 2 0.423800 33.638710 22.797243 39.426098 # 2 HOH +4773 1591 2 0.423800 33.596149 21.385145 38.603680 # 2 HOH +4774 1592 1 -0.847600 34.767311 24.639269 6.772327 # 1 HOH +4775 1592 2 0.423800 34.889866 24.153177 5.932451 # 2 HOH +4776 1592 2 0.423800 35.682911 24.769583 7.193139 # 2 HOH +4777 1593 1 -0.847600 5.997093 5.251933 9.328382 # 1 HOH +4778 1593 2 0.423800 6.194902 4.957796 8.416249 # 2 HOH +4779 1593 2 0.423800 6.023911 6.217465 9.241144 # 2 HOH +4780 1594 1 -0.847600 16.378653 30.420664 25.100441 # 1 HOH +4781 1594 2 0.423800 17.042124 29.761761 24.909389 # 2 HOH +4782 1594 2 0.423800 16.865721 31.209957 25.642033 # 2 HOH +4783 1595 1 -0.847600 6.317443 2.667611 15.145979 # 1 HOH +4784 1595 2 0.423800 6.935695 2.962424 15.861590 # 2 HOH +4785 1595 2 0.423800 6.930991 2.930681 14.331880 # 2 HOH +4786 1596 1 -0.847600 7.649660 9.873709 19.151487 # 1 HOH +4787 1596 2 0.423800 8.464335 10.162615 19.571413 # 2 HOH +4788 1596 2 0.423800 7.651548 8.829160 19.005402 # 2 HOH +4789 1597 1 -0.847600 10.367378 28.346548 38.039799 # 1 HOH +4790 1597 2 0.423800 11.073972 28.333717 38.743183 # 2 HOH +4791 1597 2 0.423800 9.674377 28.940685 38.343037 # 2 HOH +4792 1598 1 -0.847600 2.786985 12.002213 16.075422 # 1 HOH +4793 1598 2 0.423800 2.705540 12.625953 16.851250 # 2 HOH +4794 1598 2 0.423800 2.577881 12.516083 15.232707 # 2 HOH +4795 1599 1 -0.847600 34.773033 15.132815 5.063953 # 1 HOH +4796 1599 2 0.423800 34.773506 14.416144 5.851068 # 2 HOH +4797 1599 2 0.423800 34.307301 14.621819 4.335009 # 2 HOH +4798 1600 1 -0.847600 27.819244 44.102665 30.360088 # 1 HOH +4799 1600 2 0.423800 27.683506 44.059097 31.359190 # 2 HOH +4800 1600 2 0.423800 28.829958 44.202961 30.284100 # 2 HOH +4801 1601 1 -0.847600 25.970922 25.790462 29.114534 # 1 HOH +4802 1601 2 0.423800 26.430613 25.409527 28.294079 # 2 HOH +4803 1601 2 0.423800 25.063847 26.010794 28.757736 # 2 HOH +4804 1602 1 -0.847600 41.301792 43.131695 4.964754 # 1 HOH +4805 1602 2 0.423800 40.686016 43.679604 5.522995 # 2 HOH +4806 1602 2 0.423800 40.667770 42.537262 4.431403 # 2 HOH +4807 1603 1 -0.847600 35.608765 4.951455 16.873850 # 1 HOH +4808 1603 2 0.423800 35.758633 3.942888 16.721052 # 2 HOH +4809 1603 2 0.423800 36.480297 5.458097 17.047211 # 2 HOH +4810 1604 1 -0.847600 20.737825 23.039558 34.099533 # 1 HOH +4811 1604 2 0.423800 21.373865 22.258678 34.002647 # 2 HOH +4812 1604 2 0.423800 21.187544 23.524549 34.818089 # 2 HOH +4813 1605 1 -0.847600 16.815552 13.946655 21.577784 # 1 HOH +4814 1605 2 0.423800 17.624483 13.468616 21.973660 # 2 HOH +4815 1605 2 0.423800 16.431057 13.229547 20.938372 # 2 HOH +4816 1606 1 -0.847600 4.485842 31.717995 17.741892 # 1 HOH +4817 1606 2 0.423800 3.819760 31.013554 17.404959 # 2 HOH +4818 1606 2 0.423800 4.314245 31.239521 18.642712 # 2 HOH +4819 1607 1 -0.847600 28.219019 22.967789 14.888980 # 1 HOH +4820 1607 2 0.423800 27.752831 23.141413 13.928612 # 2 HOH +4821 1607 2 0.423800 28.699848 23.787201 15.085278 # 2 HOH +4822 1608 1 -0.847600 41.396744 8.654236 6.221312 # 1 HOH +4823 1608 2 0.423800 40.383488 8.361522 6.231545 # 2 HOH +4824 1608 2 0.423800 41.742069 7.952505 5.531642 # 2 HOH +4825 1609 1 -0.847600 9.857413 9.867030 36.222294 # 1 HOH +4826 1609 2 0.423800 9.846672 8.949562 35.764046 # 2 HOH +4827 1609 2 0.423800 9.621632 10.597522 35.632050 # 2 HOH +4828 1610 1 -0.847600 8.155621 7.167161 12.558943 # 1 HOH +4829 1610 2 0.423800 8.246520 6.481918 13.284929 # 2 HOH +4830 1610 2 0.423800 8.220856 6.642129 11.769935 # 2 HOH +4831 1611 1 -0.847600 38.337128 32.749413 24.116264 # 1 HOH +4832 1611 2 0.423800 37.898190 32.721848 23.234615 # 2 HOH +4833 1611 2 0.423800 39.217815 33.215199 23.969101 # 2 HOH +4834 1612 1 -0.847600 35.022572 29.029232 36.782406 # 1 HOH +4835 1612 2 0.423800 35.326263 28.901052 37.627819 # 2 HOH +4836 1612 2 0.423800 35.707279 28.563290 36.223202 # 2 HOH +4837 1613 1 -0.847600 39.934639 32.736172 38.696945 # 1 HOH +4838 1613 2 0.423800 40.649586 33.221275 38.308388 # 2 HOH +4839 1613 2 0.423800 39.331608 33.597336 38.805317 # 2 HOH +4840 1614 1 -0.847600 12.410258 1.114132 9.260201 # 1 HOH +4841 1614 2 0.423800 11.601401 1.669541 9.250427 # 2 HOH +4842 1614 2 0.423800 12.972824 1.800437 9.560656 # 2 HOH +4843 1615 1 -0.847600 22.715178 22.452728 16.281059 # 1 HOH +4844 1615 2 0.423800 22.353937 21.676165 15.745988 # 2 HOH +4845 1615 2 0.423800 22.806742 23.202190 15.640203 # 2 HOH +4846 1616 1 -0.847600 1.432375 35.732384 3.057777 # 1 HOH +4847 1616 2 0.423800 1.162656 36.664429 3.102837 # 2 HOH +4848 1616 2 0.423800 2.292332 35.473721 2.532821 # 2 HOH +4849 1617 1 -0.847600 28.810480 31.916531 27.458387 # 1 HOH +4850 1617 2 0.423800 29.042072 32.585732 28.215511 # 2 HOH +4851 1617 2 0.423800 27.932810 31.557457 27.714968 # 2 HOH +4852 1618 1 -0.847600 10.209175 9.356309 24.394772 # 1 HOH +4853 1618 2 0.423800 10.951666 9.627275 23.807184 # 2 HOH +4854 1618 2 0.423800 10.689247 8.760134 25.028799 # 2 HOH +4855 1619 1 -0.847600 25.992094 20.370237 40.767822 # 1 HOH +4856 1619 2 0.423800 26.697849 20.285213 39.991196 # 2 HOH +4857 1619 2 0.423800 26.351246 21.120106 41.396309 # 2 HOH +4858 1620 1 -0.847600 26.983189 32.040348 35.315388 # 1 HOH +4859 1620 2 0.423800 26.512739 32.976727 35.590965 # 2 HOH +4860 1620 2 0.423800 27.041780 31.500967 36.249912 # 2 HOH +4861 1621 1 -0.847600 8.029294 17.703957 29.891968 # 1 HOH +4862 1621 2 0.423800 8.459646 16.754206 29.763254 # 2 HOH +4863 1621 2 0.423800 7.544899 17.639597 30.819860 # 2 HOH +4864 1622 1 -0.847600 23.171167 5.076329 6.755927 # 1 HOH +4865 1622 2 0.423800 22.249710 4.600408 6.905722 # 2 HOH +4866 1622 2 0.423800 23.022655 5.995475 7.126711 # 2 HOH +4867 1623 1 -0.847600 22.765057 24.777367 10.473493 # 1 HOH +4868 1623 2 0.423800 23.091324 23.825422 10.468278 # 2 HOH +4869 1623 2 0.423800 22.323538 24.860264 11.371661 # 2 HOH +4870 1624 1 -0.847600 10.021204 20.214388 19.010405 # 1 HOH +4871 1624 2 0.423800 9.499961 19.404291 19.181889 # 2 HOH +4872 1624 2 0.423800 10.555548 19.991364 18.212765 # 2 HOH +4873 1625 1 -0.847600 36.916592 24.849457 40.809952 # 1 HOH +4874 1625 2 0.423800 36.972477 24.533884 39.774940 # 2 HOH +4875 1625 2 0.423800 37.347027 25.795547 40.946938 # 2 HOH +4876 1626 1 -0.847600 24.846800 41.009800 36.480145 # 1 HOH +4877 1626 2 0.423800 25.152636 41.824703 35.953278 # 2 HOH +4878 1626 2 0.423800 25.172632 41.291470 37.382851 # 2 HOH +4879 1627 1 -0.847600 18.491718 27.738037 31.164818 # 1 HOH +4880 1627 2 0.423800 18.857988 27.285446 31.971451 # 2 HOH +4881 1627 2 0.423800 18.208616 28.682129 31.379768 # 2 HOH +4882 1628 1 -0.847600 31.591112 -0.011729 33.983303 # 1 HOH +4883 1628 2 0.423800 32.540379 0.302041 33.814220 # 2 HOH +4884 1628 2 0.423800 31.720081 -0.901918 34.478657 # 2 HOH +4885 1629 1 -0.847600 19.235508 33.217377 38.144600 # 1 HOH +4886 1629 2 0.423800 19.349068 32.324448 38.728016 # 2 HOH +4887 1629 2 0.423800 18.279909 33.520687 38.254406 # 2 HOH +4888 1630 1 -0.847600 39.340450 14.807250 18.219973 # 1 HOH +4889 1630 2 0.423800 39.169487 13.713408 18.260300 # 2 HOH +4890 1630 2 0.423800 39.437099 15.144493 17.263676 # 2 HOH +4891 1631 1 -0.847600 10.261249 2.640795 9.513245 # 1 HOH +4892 1631 2 0.423800 9.516703 2.335284 8.861956 # 2 HOH +4893 1631 2 0.423800 10.419076 3.616430 9.167561 # 2 HOH +4894 1632 1 -0.847600 38.045639 34.789528 39.238796 # 1 HOH +4895 1632 2 0.423800 37.693130 35.754044 39.108616 # 2 HOH +4896 1632 2 0.423800 37.622311 34.536087 40.079391 # 2 HOH +4897 1633 1 -0.847600 12.993264 39.657883 29.933893 # 1 HOH +4898 1633 2 0.423800 12.944548 39.956177 30.824451 # 2 HOH +4899 1633 2 0.423800 12.839534 40.484680 29.306665 # 2 HOH +4900 1634 1 -0.847600 27.787741 18.534670 17.076981 # 1 HOH +4901 1634 2 0.423800 27.942339 18.321690 16.202139 # 2 HOH +4902 1634 2 0.423800 28.675251 18.826096 17.443029 # 2 HOH +4903 1635 1 -0.847600 5.864290 37.903233 11.820944 # 1 HOH +4904 1635 2 0.423800 6.364644 38.712608 12.079566 # 2 HOH +4905 1635 2 0.423800 6.480898 37.127762 11.738228 # 2 HOH +4906 1636 1 -0.847600 24.846682 22.692207 34.997116 # 1 HOH +4907 1636 2 0.423800 25.382839 23.412903 35.260715 # 2 HOH +4908 1636 2 0.423800 24.428829 22.323236 35.860561 # 2 HOH +4909 1637 1 -0.847600 22.514513 40.409195 27.635780 # 1 HOH +4910 1637 2 0.423800 21.801611 39.982605 27.031460 # 2 HOH +4911 1637 2 0.423800 22.643913 39.633167 28.321468 # 2 HOH +4912 1638 1 -0.847600 24.125681 35.131363 18.708094 # 1 HOH +4913 1638 2 0.423800 23.582048 35.282455 17.853321 # 2 HOH +4914 1638 2 0.423800 23.451351 34.927177 19.404915 # 2 HOH +4915 1639 1 -0.847600 12.726475 23.988241 21.011141 # 1 HOH +4916 1639 2 0.423800 12.304275 23.375519 20.262249 # 2 HOH +4917 1639 2 0.423800 13.521222 23.318064 21.243048 # 2 HOH +4918 1640 1 -0.847600 2.332967 8.126883 39.447609 # 1 HOH +4919 1640 2 0.423800 2.875656 7.833581 40.177578 # 2 HOH +4920 1640 2 0.423800 1.831833 7.287875 38.999268 # 2 HOH +4921 1641 1 -0.847600 10.963702 13.552566 34.466499 # 1 HOH +4922 1641 2 0.423800 11.813831 14.068196 34.323372 # 2 HOH +4923 1641 2 0.423800 10.813758 13.682367 35.508854 # 2 HOH +4924 1642 1 -0.847600 35.969650 40.926361 2.885265 # 1 HOH +4925 1642 2 0.423800 35.418938 40.707649 2.150515 # 2 HOH +4926 1642 2 0.423800 36.878532 40.400810 2.715518 # 2 HOH +4927 1643 1 -0.847600 7.600982 8.979387 1.728932 # 1 HOH +4928 1643 2 0.423800 7.182393 9.369239 2.488114 # 2 HOH +4929 1643 2 0.423800 7.616558 9.734655 0.992709 # 2 HOH +4930 1644 1 -0.847600 12.078098 44.129429 32.941128 # 1 HOH +4931 1644 2 0.423800 11.375499 43.682831 32.339169 # 2 HOH +4932 1644 2 0.423800 11.732275 43.809742 33.852711 # 2 HOH +4933 1645 1 -0.847600 24.675627 30.433786 38.402206 # 1 HOH +4934 1645 2 0.423800 25.579365 30.585375 38.031754 # 2 HOH +4935 1645 2 0.423800 24.234058 31.034962 37.834053 # 2 HOH +4936 1646 1 -0.847600 10.828428 38.032276 0.759506 # 1 HOH +4937 1646 2 0.423800 11.268682 38.742584 1.387880 # 2 HOH +4938 1646 2 0.423800 10.312239 38.547504 0.049218 # 2 HOH +4939 1647 1 -0.847600 33.259247 35.832710 10.852631 # 1 HOH +4940 1647 2 0.423800 33.636368 35.558483 9.998446 # 2 HOH +4941 1647 2 0.423800 33.133366 35.050903 11.494732 # 2 HOH +4942 1648 1 -0.847600 12.837244 6.741703 7.203509 # 1 HOH +4943 1648 2 0.423800 12.107651 7.264468 7.511325 # 2 HOH +4944 1648 2 0.423800 13.685645 7.185643 7.208735 # 2 HOH +4945 1649 1 -0.847600 15.524110 15.610145 14.683740 # 1 HOH +4946 1649 2 0.423800 15.262272 15.327610 15.624888 # 2 HOH +4947 1649 2 0.423800 16.321793 16.217215 14.902472 # 2 HOH +4948 1650 1 -0.847600 5.080004 21.720871 5.074078 # 1 HOH +4949 1650 2 0.423800 4.413732 21.339712 5.751265 # 2 HOH +4950 1650 2 0.423800 4.627364 21.528978 4.177432 # 2 HOH +4951 1651 1 -0.847600 7.985086 1.319754 22.250963 # 1 HOH +4952 1651 2 0.423800 8.631471 0.576220 21.963161 # 2 HOH +4953 1651 2 0.423800 8.272989 1.626938 23.150612 # 2 HOH +4954 1652 1 -0.847600 14.369918 28.718983 10.048868 # 1 HOH +4955 1652 2 0.423800 14.851843 28.899267 10.937854 # 2 HOH +4956 1652 2 0.423800 14.225363 27.734789 9.953046 # 2 HOH +4957 1653 1 -0.847600 6.092931 0.937332 8.713086 # 1 HOH +4958 1653 2 0.423800 6.421786 0.067515 9.196479 # 2 HOH +4959 1653 2 0.423800 5.904056 0.698949 7.762587 # 2 HOH +4960 1654 1 -0.847600 25.506214 27.447050 37.369869 # 1 HOH +4961 1654 2 0.423800 25.465557 28.445728 37.304970 # 2 HOH +4962 1654 2 0.423800 26.063208 27.248005 38.131123 # 2 HOH +4963 1655 1 -0.847600 34.943413 28.755474 12.557019 # 1 HOH +4964 1655 2 0.423800 34.444744 27.948952 12.245879 # 2 HOH +4965 1655 2 0.423800 35.828133 28.428759 12.840597 # 2 HOH +4966 1656 1 -0.847600 6.744184 33.578526 15.405266 # 1 HOH +4967 1656 2 0.423800 6.705578 34.529694 15.500535 # 2 HOH +4968 1656 2 0.423800 7.317055 33.436222 14.491119 # 2 HOH +4969 1657 1 -0.847600 8.732531 35.127289 23.565174 # 1 HOH +4970 1657 2 0.423800 7.946512 35.835876 23.744240 # 2 HOH +4971 1657 2 0.423800 9.258880 35.329990 24.359922 # 2 HOH +4972 1658 1 -0.847600 7.301874 8.554570 36.461624 # 1 HOH +4973 1658 2 0.423800 7.472678 9.506967 36.548912 # 2 HOH +4974 1658 2 0.423800 8.091150 8.072459 36.047832 # 2 HOH +4975 1659 1 -0.847600 41.105000 9.153763 24.871925 # 1 HOH +4976 1659 2 0.423800 41.157490 8.283763 24.469803 # 2 HOH +4977 1659 2 0.423800 42.044605 9.512752 24.600935 # 2 HOH +4978 1660 1 -0.847600 24.691044 43.667461 17.278341 # 1 HOH +4979 1660 2 0.423800 23.821053 43.780926 16.888866 # 2 HOH +4980 1660 2 0.423800 24.587217 43.565174 18.275803 # 2 HOH +4981 1661 1 -0.847600 10.371156 35.634953 40.441639 # 1 HOH +4982 1661 2 0.423800 10.785426 35.615421 39.518459 # 2 HOH +4983 1661 2 0.423800 11.163774 35.882477 41.055157 # 2 HOH +4984 1662 1 -0.847600 18.141943 32.512711 25.941645 # 1 HOH +4985 1662 2 0.423800 18.801748 33.359177 25.925461 # 2 HOH +4986 1662 2 0.423800 18.694334 31.869572 26.335070 # 2 HOH +4987 1663 1 -0.847600 17.118994 21.127783 11.363787 # 1 HOH +4988 1663 2 0.423800 17.616932 21.873194 11.008842 # 2 HOH +4989 1663 2 0.423800 16.823685 21.485624 12.265015 # 2 HOH +4990 1664 1 -0.847600 14.201581 37.428535 37.893311 # 1 HOH +4991 1664 2 0.423800 15.207624 37.500015 37.804230 # 2 HOH +4992 1664 2 0.423800 13.916193 38.004025 37.060444 # 2 HOH +4993 1665 1 -0.847600 19.340004 35.111687 4.412787 # 1 HOH +4994 1665 2 0.423800 18.510220 35.065788 5.073128 # 2 HOH +4995 1665 2 0.423800 20.112562 34.612511 5.053101 # 2 HOH +4996 1666 1 -0.847600 40.333168 4.831008 13.152003 # 1 HOH +4997 1666 2 0.423800 40.570095 3.975079 12.524266 # 2 HOH +4998 1666 2 0.423800 40.921207 4.501795 13.897654 # 2 HOH +4999 1667 1 -0.847600 12.525601 10.381837 42.333809 # 1 HOH +5000 1667 2 0.423800 11.738600 10.408036 42.955196 # 2 HOH +5001 1667 2 0.423800 12.641476 9.375206 42.034225 # 2 HOH +5002 1668 1 -0.847600 33.173534 11.320424 20.071001 # 1 HOH +5003 1668 2 0.423800 32.942753 11.945123 19.247807 # 2 HOH +5004 1668 2 0.423800 33.682510 10.582349 19.753742 # 2 HOH +5005 1669 1 -0.847600 19.793011 22.792269 16.734432 # 1 HOH +5006 1669 2 0.423800 20.659756 22.537752 17.127920 # 2 HOH +5007 1669 2 0.423800 19.151623 22.691580 17.521564 # 2 HOH +5008 1670 1 -0.847600 37.948833 11.729208 25.571609 # 1 HOH +5009 1670 2 0.423800 37.143162 12.391893 25.459801 # 2 HOH +5010 1670 2 0.423800 37.462688 11.024364 25.073639 # 2 HOH +5011 1671 1 -0.847600 23.973694 3.378417 33.645039 # 1 HOH +5012 1671 2 0.423800 23.109863 3.130578 33.150669 # 2 HOH +5013 1671 2 0.423800 23.819851 4.395467 33.878048 # 2 HOH +5014 1672 1 -0.847600 10.796327 39.846352 22.316271 # 1 HOH +5015 1672 2 0.423800 10.760734 38.853420 22.199469 # 2 HOH +5016 1672 2 0.423800 10.578631 40.049374 23.264570 # 2 HOH +5017 1673 1 -0.847600 12.429160 22.018173 28.183784 # 1 HOH +5018 1673 2 0.423800 13.192013 21.874321 27.486252 # 2 HOH +5019 1673 2 0.423800 11.651406 21.408300 28.000128 # 2 HOH +5020 1674 1 -0.847600 32.025795 40.888355 12.309172 # 1 HOH +5021 1674 2 0.423800 32.311253 39.971691 12.910043 # 2 HOH +5022 1674 2 0.423800 32.417595 40.639790 11.396531 # 2 HOH +5023 1675 1 -0.847600 8.275167 33.114338 34.842232 # 1 HOH +5024 1675 2 0.423800 7.316597 33.270245 34.690216 # 2 HOH +5025 1675 2 0.423800 8.426514 33.241776 35.874165 # 2 HOH +5026 1676 1 -0.847600 40.415703 11.020582 7.092509 # 1 HOH +5027 1676 2 0.423800 41.035057 10.314617 6.676748 # 2 HOH +5028 1676 2 0.423800 39.715359 10.439720 7.625289 # 2 HOH +5029 1677 1 -0.847600 18.860685 6.706289 9.594210 # 1 HOH +5030 1677 2 0.423800 18.741007 6.512267 10.549206 # 2 HOH +5031 1677 2 0.423800 18.172922 7.366405 9.389076 # 2 HOH +5032 1678 1 -0.847600 36.616238 1.337796 29.554211 # 1 HOH +5033 1678 2 0.423800 35.644749 1.093925 29.445414 # 2 HOH +5034 1678 2 0.423800 36.944683 1.571650 28.696817 # 2 HOH +5035 1679 1 -0.847600 28.322903 14.812139 40.280975 # 1 HOH +5036 1679 2 0.423800 29.153643 14.926168 39.910664 # 2 HOH +5037 1679 2 0.423800 28.226036 13.878570 40.229519 # 2 HOH +5038 1680 1 -0.847600 11.317784 19.900713 16.759506 # 1 HOH +5039 1680 2 0.423800 11.025740 20.466345 15.838785 # 2 HOH +5040 1680 2 0.423800 11.472536 18.939037 16.340168 # 2 HOH +5041 1681 1 -0.847600 30.277822 18.419392 30.730934 # 1 HOH +5042 1681 2 0.423800 30.277504 17.556854 31.233505 # 2 HOH +5043 1681 2 0.423800 29.521006 19.027842 31.056131 # 2 HOH +5044 1682 1 -0.847600 30.574295 10.970727 26.312098 # 1 HOH +5045 1682 2 0.423800 30.826571 10.517466 27.141165 # 2 HOH +5046 1682 2 0.423800 30.123009 11.763841 26.650440 # 2 HOH +5047 1683 1 -0.847600 41.726223 0.290602 38.365135 # 1 HOH +5048 1683 2 0.423800 41.028553 1.017350 38.059368 # 2 HOH +5049 1683 2 0.423800 41.322853 0.156764 39.309681 # 2 HOH +5050 1684 1 -0.847600 42.752544 14.324725 35.630638 # 1 HOH +5051 1684 2 0.423800 43.413208 14.012007 36.346485 # 2 HOH +5052 1684 2 0.423800 41.963146 13.886775 35.794888 # 2 HOH +5053 1685 1 -0.847600 17.174055 36.016941 29.338884 # 1 HOH +5054 1685 2 0.423800 16.529352 36.330509 30.108284 # 2 HOH +5055 1685 2 0.423800 16.682447 35.630692 28.671112 # 2 HOH +5056 1686 1 -0.847600 14.456639 1.956326 21.216211 # 1 HOH +5057 1686 2 0.423800 15.158061 1.494208 21.849670 # 2 HOH +5058 1686 2 0.423800 14.827112 1.977492 20.247173 # 2 HOH +5059 1687 1 -0.847600 12.299449 10.587381 18.251831 # 1 HOH +5060 1687 2 0.423800 12.950501 9.813735 17.836533 # 2 HOH +5061 1687 2 0.423800 11.834558 10.733652 17.383774 # 2 HOH +5062 1688 1 -0.847600 14.752393 43.055489 33.367569 # 1 HOH +5063 1688 2 0.423800 15.305460 43.188625 32.608593 # 2 HOH +5064 1688 2 0.423800 13.853535 43.523453 33.114220 # 2 HOH +5065 1689 1 -0.847600 22.012623 3.218925 31.921505 # 1 HOH +5066 1689 2 0.423800 22.199148 4.167884 31.654257 # 2 HOH +5067 1689 2 0.423800 21.179497 3.457271 32.368362 # 2 HOH +5068 1690 1 -0.847600 16.415483 34.319023 10.974236 # 1 HOH +5069 1690 2 0.423800 16.024164 33.648586 10.352446 # 2 HOH +5070 1690 2 0.423800 16.073410 33.975716 11.875588 # 2 HOH +5071 1691 1 -0.847600 19.017216 40.066574 22.654909 # 1 HOH +5072 1691 2 0.423800 18.644691 39.323830 23.173021 # 2 HOH +5073 1691 2 0.423800 19.743334 40.468292 23.284813 # 2 HOH +5074 1692 1 -0.847600 37.315697 30.126562 30.797398 # 1 HOH +5075 1692 2 0.423800 37.182087 29.665491 29.934614 # 2 HOH +5076 1692 2 0.423800 38.134750 30.766994 30.867521 # 2 HOH +5077 1693 1 -0.847600 13.039847 12.643764 5.776674 # 1 HOH +5078 1693 2 0.423800 13.625861 12.059793 5.350475 # 2 HOH +5079 1693 2 0.423800 13.554601 13.391792 6.104457 # 2 HOH +5080 1694 1 -0.847600 27.535709 7.276454 17.450186 # 1 HOH +5081 1694 2 0.423800 28.546173 7.319225 17.587004 # 2 HOH +5082 1694 2 0.423800 27.347519 7.284232 18.410305 # 2 HOH +5083 1695 1 -0.847600 33.318878 39.626507 34.390385 # 1 HOH +5084 1695 2 0.423800 33.736237 40.315639 34.945377 # 2 HOH +5085 1695 2 0.423800 33.786400 38.823463 34.669441 # 2 HOH +5086 1696 1 -0.847600 22.658665 7.872326 29.982338 # 1 HOH +5087 1696 2 0.423800 21.787502 7.522431 30.383240 # 2 HOH +5088 1696 2 0.423800 22.724384 7.745219 29.011667 # 2 HOH +5089 1697 1 -0.847600 28.832556 7.879876 28.693808 # 1 HOH +5090 1697 2 0.423800 29.298582 7.981421 27.774353 # 2 HOH +5091 1697 2 0.423800 28.640955 8.885650 29.010382 # 2 HOH +5092 1698 1 -0.847600 10.425341 42.311893 31.801151 # 1 HOH +5093 1698 2 0.423800 10.087924 42.101643 30.986088 # 2 HOH +5094 1698 2 0.423800 10.813139 41.511818 32.019825 # 2 HOH +5095 1699 1 -0.847600 11.269803 6.205549 37.947186 # 1 HOH +5096 1699 2 0.423800 10.267080 6.285574 37.819809 # 2 HOH +5097 1699 2 0.423800 11.366181 5.263897 37.721241 # 2 HOH +5098 1700 1 -0.847600 5.445417 0.452462 38.963467 # 1 HOH +5099 1700 2 0.423800 5.939293 1.286134 39.039951 # 2 HOH +5100 1700 2 0.423800 5.789611 -0.074060 38.145760 # 2 HOH +5101 1701 1 -0.847600 35.924828 18.387604 34.516129 # 1 HOH +5102 1701 2 0.423800 36.227524 18.776739 33.627056 # 2 HOH +5103 1701 2 0.423800 34.964535 18.759678 34.731483 # 2 HOH +5104 1702 1 -0.847600 25.937397 34.688820 28.403399 # 1 HOH +5105 1702 2 0.423800 25.836399 33.833038 27.840618 # 2 HOH +5106 1702 2 0.423800 25.276478 35.331703 27.918465 # 2 HOH +5107 1703 1 -0.847600 1.839289 7.407098 33.692226 # 1 HOH +5108 1703 2 0.423800 1.070012 7.472571 33.037331 # 2 HOH +5109 1703 2 0.423800 1.554048 7.915434 34.523708 # 2 HOH +5110 1704 1 -0.847600 10.409027 2.235184 15.563451 # 1 HOH +5111 1704 2 0.423800 9.532946 2.520106 15.175433 # 2 HOH +5112 1704 2 0.423800 10.537653 1.285912 15.225281 # 2 HOH +5113 1705 1 -0.847600 29.849573 34.910133 24.699551 # 1 HOH +5114 1705 2 0.423800 30.134430 34.713604 23.752258 # 2 HOH +5115 1705 2 0.423800 29.200909 35.672623 24.351324 # 2 HOH +5116 1706 1 -0.847600 14.892904 5.465145 27.376287 # 1 HOH +5117 1706 2 0.423800 15.147318 6.287381 27.111633 # 2 HOH +5118 1706 2 0.423800 14.008311 5.224479 27.026781 # 2 HOH +5119 1707 1 -0.847600 8.427525 32.086445 43.241104 # 1 HOH +5120 1707 2 0.423800 8.373327 31.094162 43.421585 # 2 HOH +5121 1707 2 0.423800 8.779161 32.124645 42.332737 # 2 HOH +5122 1708 1 -0.847600 1.081184 30.037714 31.221790 # 1 HOH +5123 1708 2 0.423800 0.319231 30.479166 31.712334 # 2 HOH +5124 1708 2 0.423800 1.646530 29.717054 31.918455 # 2 HOH +5125 1709 1 -0.847600 4.999946 31.730677 14.178096 # 1 HOH +5126 1709 2 0.423800 5.908007 31.767570 13.742332 # 2 HOH +5127 1709 2 0.423800 5.243111 32.175816 15.117738 # 2 HOH +5128 1710 1 -0.847600 43.229637 31.164179 17.903234 # 1 HOH +5129 1710 2 0.423800 43.570900 32.027298 17.965549 # 2 HOH +5130 1710 2 0.423800 42.508190 31.314228 17.276606 # 2 HOH +5131 1711 1 -0.847600 40.953865 12.311936 1.813737 # 1 HOH +5132 1711 2 0.423800 40.878227 12.756842 0.916224 # 2 HOH +5133 1711 2 0.423800 40.406681 11.482656 1.634970 # 2 HOH +5134 1712 1 -0.847600 34.095318 41.581886 4.973069 # 1 HOH +5135 1712 2 0.423800 34.865005 41.543049 4.363243 # 2 HOH +5136 1712 2 0.423800 33.294033 41.404423 4.352343 # 2 HOH +5137 1713 1 -0.847600 41.372532 27.003567 20.009058 # 1 HOH +5138 1713 2 0.423800 41.584667 26.021275 20.201338 # 2 HOH +5139 1713 2 0.423800 40.952129 27.417677 20.854916 # 2 HOH +5140 1714 1 -0.847600 22.703241 10.302496 11.446905 # 1 HOH +5141 1714 2 0.423800 22.132620 9.920625 12.181797 # 2 HOH +5142 1714 2 0.423800 23.183233 9.542072 11.038964 # 2 HOH +5143 1715 1 -0.847600 0.488316 37.858044 28.132841 # 1 HOH +5144 1715 2 0.423800 0.811245 38.439705 28.848988 # 2 HOH +5145 1715 2 0.423800 1.193998 37.181973 27.971737 # 2 HOH +5146 1716 1 -0.847600 22.083498 43.205204 24.620493 # 1 HOH +5147 1716 2 0.423800 21.425131 43.269878 25.379715 # 2 HOH +5148 1716 2 0.423800 21.568172 43.717438 23.889256 # 2 HOH +5149 1717 1 -0.847600 5.035013 28.555471 14.267220 # 1 HOH +5150 1717 2 0.423800 5.903984 28.532761 14.722577 # 2 HOH +5151 1717 2 0.423800 4.809766 29.590065 14.208402 # 2 HOH +5152 1718 1 -0.847600 40.861938 1.085438 5.078299 # 1 HOH +5153 1718 2 0.423800 40.964802 1.530471 4.214316 # 2 HOH +5154 1718 2 0.423800 41.798676 0.682561 5.307508 # 2 HOH +5155 1719 1 -0.847600 5.454618 44.028587 30.089760 # 1 HOH +5156 1719 2 0.423800 5.521756 43.359375 29.469713 # 2 HOH +5157 1719 2 0.423800 6.344916 44.196720 30.402765 # 2 HOH +5158 1720 1 -0.847600 19.450123 13.695483 40.586609 # 1 HOH +5159 1720 2 0.423800 18.431332 13.701813 40.562908 # 2 HOH +5160 1720 2 0.423800 19.690147 13.497972 39.655003 # 2 HOH +5161 1721 1 -0.847600 0.291060 15.162050 33.281166 # 1 HOH +5162 1721 2 0.423800 0.748888 14.397931 32.740944 # 2 HOH +5163 1721 2 0.423800 0.248679 14.853695 34.249424 # 2 HOH +5164 1722 1 -0.847600 39.846714 39.708626 35.569397 # 1 HOH +5165 1722 2 0.423800 39.262348 39.920948 34.750938 # 2 HOH +5166 1722 2 0.423800 40.682758 39.363525 35.232021 # 2 HOH +5167 1723 1 -0.847600 35.248234 10.573805 11.503326 # 1 HOH +5168 1723 2 0.423800 34.602528 9.985755 11.070893 # 2 HOH +5169 1723 2 0.423800 35.813622 10.042796 12.032043 # 2 HOH +5170 1724 1 -0.847600 38.356758 34.421242 4.665189 # 1 HOH +5171 1724 2 0.423800 39.069843 35.098354 4.510997 # 2 HOH +5172 1724 2 0.423800 38.357216 34.335815 5.635643 # 2 HOH +5173 1725 1 -0.847600 30.816137 44.279453 24.662539 # 1 HOH +5174 1725 2 0.423800 30.302298 44.125290 23.742626 # 2 HOH +5175 1725 2 0.423800 30.486395 43.520229 25.228495 # 2 HOH +5176 1726 1 -0.847600 21.426731 9.004873 13.698994 # 1 HOH +5177 1726 2 0.423800 20.465538 8.862307 13.923172 # 2 HOH +5178 1726 2 0.423800 21.987526 8.244374 14.108140 # 2 HOH +5179 1727 1 -0.847600 28.244541 15.039680 24.107729 # 1 HOH +5180 1727 2 0.423800 28.250416 14.057110 24.135288 # 2 HOH +5181 1727 2 0.423800 29.126509 15.247423 23.657255 # 2 HOH +5182 1728 1 -0.847600 17.547234 13.058264 17.427792 # 1 HOH +5183 1728 2 0.423800 18.287586 13.314624 16.679085 # 2 HOH +5184 1728 2 0.423800 16.636986 13.035280 16.905830 # 2 HOH +5185 1729 1 -0.847600 32.711796 11.183475 39.205460 # 1 HOH +5186 1729 2 0.423800 32.599232 12.060771 39.573551 # 2 HOH +5187 1729 2 0.423800 33.661739 10.968520 39.047493 # 2 HOH +5188 1730 1 -0.847600 19.344860 30.981882 39.750031 # 1 HOH +5189 1730 2 0.423800 20.387892 30.992493 40.019634 # 2 HOH +5190 1730 2 0.423800 18.877520 30.758505 40.585274 # 2 HOH +5191 1731 1 -0.847600 30.637323 41.703995 41.452965 # 1 HOH +5192 1731 2 0.423800 31.418644 42.131355 41.905403 # 2 HOH +5193 1731 2 0.423800 30.980352 40.827625 41.070847 # 2 HOH +5194 1732 1 -0.847600 24.983936 23.963373 3.863622 # 1 HOH +5195 1732 2 0.423800 24.116892 23.544325 3.761613 # 2 HOH +5196 1732 2 0.423800 25.030968 23.787436 4.771985 # 2 HOH +5197 1733 1 -0.847600 11.480371 16.598169 11.827104 # 1 HOH +5198 1733 2 0.423800 10.644518 16.546133 12.510392 # 2 HOH +5199 1733 2 0.423800 12.218753 16.713430 12.495080 # 2 HOH +5200 1734 1 -0.847600 11.048914 39.783421 25.287838 # 1 HOH +5201 1734 2 0.423800 11.327538 39.146255 25.997263 # 2 HOH +5202 1734 2 0.423800 11.749669 40.379986 25.340435 # 2 HOH +5203 1735 1 -0.847600 40.481667 31.117380 29.159580 # 1 HOH +5204 1735 2 0.423800 40.290070 31.950880 28.552485 # 2 HOH +5205 1735 2 0.423800 40.502289 30.483702 28.338509 # 2 HOH +5206 1736 1 -0.847600 8.150852 2.648053 7.736613 # 1 HOH +5207 1736 2 0.423800 7.504313 1.930692 8.157843 # 2 HOH +5208 1736 2 0.423800 7.565048 3.393302 7.360944 # 2 HOH +5209 1737 1 -0.847600 5.677349 16.570061 10.616816 # 1 HOH +5210 1737 2 0.423800 5.638155 17.142567 9.704052 # 2 HOH +5211 1737 2 0.423800 6.694505 16.405802 10.797309 # 2 HOH +5212 1738 1 -0.847600 34.597244 17.326736 28.587494 # 1 HOH +5213 1738 2 0.423800 35.064644 16.524172 28.707760 # 2 HOH +5214 1738 2 0.423800 34.625942 17.662928 29.465321 # 2 HOH +5215 1739 1 -0.847600 13.372578 25.154539 27.752127 # 1 HOH +5216 1739 2 0.423800 12.933017 24.316658 27.822983 # 2 HOH +5217 1739 2 0.423800 13.314367 25.608294 28.649864 # 2 HOH +5218 1740 1 -0.847600 22.407537 44.982224 27.213467 # 1 HOH +5219 1740 2 0.423800 23.365221 45.241058 27.380766 # 2 HOH +5220 1740 2 0.423800 22.171097 44.442924 27.958269 # 2 HOH +5221 1741 1 -0.847600 21.914621 16.706955 32.532722 # 1 HOH +5222 1741 2 0.423800 21.838810 17.629648 32.094460 # 2 HOH +5223 1741 2 0.423800 22.755424 16.179186 31.961708 # 2 HOH +5224 1742 1 -0.847600 26.482479 0.806381 20.591608 # 1 HOH +5225 1742 2 0.423800 25.868074 1.643635 20.442812 # 2 HOH +5226 1742 2 0.423800 25.928577 0.299905 21.167181 # 2 HOH +5227 1743 1 -0.847600 3.389057 10.952924 34.241425 # 1 HOH +5228 1743 2 0.423800 2.516135 10.686617 34.592281 # 2 HOH +5229 1743 2 0.423800 3.769732 10.069409 34.059631 # 2 HOH +5230 1744 1 -0.847600 12.074146 3.877803 27.862700 # 1 HOH +5231 1744 2 0.423800 12.084632 4.729212 28.372488 # 2 HOH +5232 1744 2 0.423800 12.353926 3.084735 28.508400 # 2 HOH +5233 1745 1 -0.847600 26.438395 37.589012 26.113840 # 1 HOH +5234 1745 2 0.423800 26.540010 37.621525 27.082928 # 2 HOH +5235 1745 2 0.423800 26.001911 38.505932 25.895422 # 2 HOH +5236 1746 1 -0.847600 2.971101 28.993208 0.677887 # 1 HOH +5237 1746 2 0.423800 3.252851 29.177805 -0.274840 # 2 HOH +5238 1746 2 0.423800 3.820792 28.469141 1.084105 # 2 HOH +5239 1747 1 -0.847600 24.305378 12.567553 32.181705 # 1 HOH +5240 1747 2 0.423800 25.236368 12.481362 32.331539 # 2 HOH +5241 1747 2 0.423800 23.914871 11.650685 31.659946 # 2 HOH +5242 1748 1 -0.847600 7.715390 1.326601 40.376293 # 1 HOH +5243 1748 2 0.423800 7.395705 0.587595 40.985210 # 2 HOH +5244 1748 2 0.423800 8.438892 1.960390 40.901779 # 2 HOH +5245 1749 1 -0.847600 16.646616 33.429947 38.688705 # 1 HOH +5246 1749 2 0.423800 16.090353 33.892532 39.386112 # 2 HOH +5247 1749 2 0.423800 16.262918 33.776539 37.821301 # 2 HOH +5248 1750 1 -0.847600 10.479807 36.197826 15.687524 # 1 HOH +5249 1750 2 0.423800 9.632772 36.164921 15.137310 # 2 HOH +5250 1750 2 0.423800 10.523761 35.344101 16.082672 # 2 HOH +5251 1751 1 -0.847600 12.833437 4.383502 9.405540 # 1 HOH +5252 1751 2 0.423800 12.754339 5.257763 8.960545 # 2 HOH +5253 1751 2 0.423800 12.309992 4.446085 10.258052 # 2 HOH +5254 1752 1 -0.847600 38.044399 14.307549 32.414379 # 1 HOH +5255 1752 2 0.423800 38.970371 14.574431 32.660267 # 2 HOH +5256 1752 2 0.423800 38.183655 13.902191 31.502291 # 2 HOH +5257 1753 1 -0.847600 -0.568721 37.605522 15.436792 # 1 HOH +5258 1753 2 0.423800 -0.798571 37.931301 16.343813 # 2 HOH +5259 1753 2 0.423800 0.377041 37.464245 15.703637 # 2 HOH +5260 1754 1 -0.847600 26.981781 24.929001 2.273027 # 1 HOH +5261 1754 2 0.423800 27.714216 24.510906 2.831041 # 2 HOH +5262 1754 2 0.423800 26.090845 24.584156 2.701112 # 2 HOH +5263 1755 1 -0.847600 38.206860 18.208666 40.706276 # 1 HOH +5264 1755 2 0.423800 38.151428 19.134398 40.233776 # 2 HOH +5265 1755 2 0.423800 37.339752 18.014503 41.140640 # 2 HOH +5266 1756 1 -0.847600 16.719961 34.567078 5.624985 # 1 HOH +5267 1756 2 0.423800 16.356640 33.609524 5.860674 # 2 HOH +5268 1756 2 0.423800 15.876351 35.020309 5.092963 # 2 HOH +5269 1757 1 -0.847600 39.378944 31.957020 7.750323 # 1 HOH +5270 1757 2 0.423800 39.407574 32.923622 7.660113 # 2 HOH +5271 1757 2 0.423800 40.001976 31.835772 8.449347 # 2 HOH +5272 1758 1 -0.847600 25.610310 4.642492 29.483664 # 1 HOH +5273 1758 2 0.423800 26.441730 4.641993 28.863508 # 2 HOH +5274 1758 2 0.423800 25.538286 3.837532 29.847755 # 2 HOH +5275 1759 1 -0.847600 30.656218 5.376854 39.419449 # 1 HOH +5276 1759 2 0.423800 31.667379 5.507768 39.290443 # 2 HOH +5277 1759 2 0.423800 30.511219 4.395833 39.687294 # 2 HOH +5278 1760 1 -0.847600 42.488689 21.097698 21.242958 # 1 HOH +5279 1760 2 0.423800 43.086647 20.686394 20.605892 # 2 HOH +5280 1760 2 0.423800 41.961143 20.301138 21.700865 # 2 HOH +5281 1761 1 -0.847600 9.496206 11.607982 3.500215 # 1 HOH +5282 1761 2 0.423800 8.768475 12.084468 3.115985 # 2 HOH +5283 1761 2 0.423800 9.087030 11.361886 4.383604 # 2 HOH +5284 1762 1 -0.847600 8.009225 15.063841 30.713684 # 1 HOH +5285 1762 2 0.423800 7.909536 14.104383 30.633659 # 2 HOH +5286 1762 2 0.423800 8.373905 15.164717 31.636202 # 2 HOH +5287 1763 1 -0.847600 33.620411 6.454271 27.169498 # 1 HOH +5288 1763 2 0.423800 33.320503 6.478874 26.233814 # 2 HOH +5289 1763 2 0.423800 34.466152 5.950647 27.235125 # 2 HOH +5290 1764 1 -0.847600 28.732975 30.342089 23.174858 # 1 HOH +5291 1764 2 0.423800 27.868565 29.866362 23.565968 # 2 HOH +5292 1764 2 0.423800 28.719212 31.374537 23.584206 # 2 HOH +5293 1765 1 -0.847600 33.032089 16.244219 14.797826 # 1 HOH +5294 1765 2 0.423800 33.816715 15.498953 14.715848 # 2 HOH +5295 1765 2 0.423800 33.200169 16.823713 15.586520 # 2 HOH +5296 1766 1 -0.847600 38.094223 26.709652 17.518696 # 1 HOH +5297 1766 2 0.423800 38.774754 27.502993 17.619762 # 2 HOH +5298 1766 2 0.423800 37.963306 26.599194 16.523069 # 2 HOH +5299 1767 1 -0.847600 29.350286 42.183842 32.302467 # 1 HOH +5300 1767 2 0.423800 28.674185 41.603317 31.824543 # 2 HOH +5301 1767 2 0.423800 30.044123 42.569099 31.625006 # 2 HOH +5302 1768 1 -0.847600 0.504135 1.784735 24.562759 # 1 HOH +5303 1768 2 0.423800 0.525911 2.440118 23.806421 # 2 HOH +5304 1768 2 0.423800 1.473216 1.679504 24.721804 # 2 HOH +5305 1769 1 -0.847600 14.491128 17.348543 10.698283 # 1 HOH +5306 1769 2 0.423800 13.728571 17.184334 10.175068 # 2 HOH +5307 1769 2 0.423800 14.018119 17.687490 11.582200 # 2 HOH +5308 1770 1 -0.847600 21.316973 31.954218 20.959330 # 1 HOH +5309 1770 2 0.423800 22.389420 32.023335 21.037308 # 2 HOH +5310 1770 2 0.423800 20.949453 32.298019 20.087112 # 2 HOH +5311 1771 1 -0.847600 21.969296 23.733385 36.507439 # 1 HOH +5312 1771 2 0.423800 22.535204 23.083302 36.798126 # 2 HOH +5313 1771 2 0.423800 22.414890 24.671616 36.635796 # 2 HOH +5314 1772 1 -0.847600 39.937305 6.833817 32.822029 # 1 HOH +5315 1772 2 0.423800 39.271721 7.268037 32.357464 # 2 HOH +5316 1772 2 0.423800 40.317020 5.955702 32.343555 # 2 HOH +5317 1773 1 -0.847600 21.920256 20.059490 17.700825 # 1 HOH +5318 1773 2 0.423800 21.782412 20.158474 16.731936 # 2 HOH +5319 1773 2 0.423800 21.955860 21.017570 18.107494 # 2 HOH +5320 1774 1 -0.847600 33.856983 4.840020 9.180643 # 1 HOH +5321 1774 2 0.423800 34.734406 5.327108 9.540970 # 2 HOH +5322 1774 2 0.423800 33.642101 4.125028 9.850924 # 2 HOH +5323 1775 1 -0.847600 26.371386 34.593102 20.102961 # 1 HOH +5324 1775 2 0.423800 26.082586 34.597847 21.066425 # 2 HOH +5325 1775 2 0.423800 25.553921 34.922966 19.520498 # 2 HOH +5326 1776 1 -0.847600 27.274544 30.286089 37.605228 # 1 HOH +5327 1776 2 0.423800 27.938736 29.698702 37.251556 # 2 HOH +5328 1776 2 0.423800 27.456516 30.414291 38.614594 # 2 HOH +5329 1777 1 -0.847600 30.095997 35.420387 13.199939 # 1 HOH +5330 1777 2 0.423800 29.338076 35.238598 13.608266 # 2 HOH +5331 1777 2 0.423800 30.074795 34.789429 12.329389 # 2 HOH +5332 1778 1 -0.847600 34.046646 26.673660 4.973771 # 1 HOH +5333 1778 2 0.423800 34.382500 26.043476 5.641545 # 2 HOH +5334 1778 2 0.423800 33.240185 27.093634 5.384140 # 2 HOH +5335 1779 1 -0.847600 33.136642 16.797985 20.584700 # 1 HOH +5336 1779 2 0.423800 32.557400 17.434481 20.030916 # 2 HOH +5337 1779 2 0.423800 32.999168 15.864591 20.115717 # 2 HOH +5338 1780 1 -0.847600 12.883286 0.452095 23.601681 # 1 HOH +5339 1780 2 0.423800 13.403570 0.817103 22.817657 # 2 HOH +5340 1780 2 0.423800 13.036414 1.119795 24.255610 # 2 HOH +5341 1781 1 -0.847600 27.748838 42.954826 6.639095 # 1 HOH +5342 1781 2 0.423800 28.051947 43.733189 6.048351 # 2 HOH +5343 1781 2 0.423800 27.827297 43.264351 7.567892 # 2 HOH +5344 1782 1 -0.847600 18.950083 16.219246 20.290535 # 1 HOH +5345 1782 2 0.423800 19.594343 16.949717 20.110519 # 2 HOH +5346 1782 2 0.423800 18.228697 16.279985 19.679758 # 2 HOH +5347 1783 1 -0.847600 27.030775 6.814916 27.092060 # 1 HOH +5348 1783 2 0.423800 27.817694 6.365262 26.654089 # 2 HOH +5349 1783 2 0.423800 27.390272 7.096865 27.978727 # 2 HOH +5350 1784 1 -0.847600 37.854458 18.819611 26.621075 # 1 HOH +5351 1784 2 0.423800 37.958744 17.847666 26.315239 # 2 HOH +5352 1784 2 0.423800 38.197971 18.712692 27.481644 # 2 HOH +5353 1785 1 -0.847600 21.814095 29.379742 -0.254112 # 1 HOH +5354 1785 2 0.423800 21.092855 28.839489 0.192360 # 2 HOH +5355 1785 2 0.423800 22.676659 29.111303 0.186745 # 2 HOH +5356 1786 1 -0.847600 26.771788 5.884706 9.552264 # 1 HOH +5357 1786 2 0.423800 26.197474 6.116395 10.299663 # 2 HOH +5358 1786 2 0.423800 26.250624 5.799850 8.690353 # 2 HOH +5359 1787 1 -0.847600 16.829138 38.496593 19.237776 # 1 HOH +5360 1787 2 0.423800 16.687851 39.503780 19.082979 # 2 HOH +5361 1787 2 0.423800 15.981444 38.100128 18.898878 # 2 HOH +5362 1788 1 -0.847600 5.386135 8.506236 34.194736 # 1 HOH +5363 1788 2 0.423800 5.780111 9.249267 33.607899 # 2 HOH +5364 1788 2 0.423800 5.689619 8.511376 35.207348 # 2 HOH +5365 1789 1 -0.847600 8.045416 28.895025 12.274800 # 1 HOH +5366 1789 2 0.423800 7.200969 29.372662 11.967901 # 2 HOH +5367 1789 2 0.423800 8.737022 29.674051 12.281304 # 2 HOH +5368 1790 1 -0.847600 36.693531 27.775587 5.520869 # 1 HOH +5369 1790 2 0.423800 35.682037 27.732275 5.502628 # 2 HOH +5370 1790 2 0.423800 37.069267 27.942974 6.443960 # 2 HOH +5371 1791 1 -0.847600 21.568737 35.257118 30.174070 # 1 HOH +5372 1791 2 0.423800 21.978863 36.010178 29.607557 # 2 HOH +5373 1791 2 0.423800 21.279684 34.611301 29.522736 # 2 HOH +5374 1792 1 -0.847600 18.993732 25.597944 19.705698 # 1 HOH +5375 1792 2 0.423800 19.271801 25.850708 20.630266 # 2 HOH +5376 1792 2 0.423800 18.725344 24.656582 19.640049 # 2 HOH +5377 1793 1 -0.847600 28.480785 43.496700 16.447842 # 1 HOH +5378 1793 2 0.423800 27.744448 43.143139 15.916472 # 2 HOH +5379 1793 2 0.423800 28.115377 43.526447 17.329313 # 2 HOH +5380 1794 1 -0.847600 37.293278 37.955753 14.381974 # 1 HOH +5381 1794 2 0.423800 37.114323 38.978851 14.194211 # 2 HOH +5382 1794 2 0.423800 36.711006 37.428249 13.744435 # 2 HOH +5383 1795 1 -0.847600 3.706136 39.892002 39.930580 # 1 HOH +5384 1795 2 0.423800 3.373217 39.597439 40.823921 # 2 HOH +5385 1795 2 0.423800 3.180999 40.688686 39.567894 # 2 HOH +5386 1796 1 -0.847600 4.559664 30.930540 38.847527 # 1 HOH +5387 1796 2 0.423800 5.118460 31.739923 39.186512 # 2 HOH +5388 1796 2 0.423800 3.932982 31.463774 38.204811 # 2 HOH +5389 1797 1 -0.847600 28.296320 2.207592 6.966556 # 1 HOH +5390 1797 2 0.423800 28.294491 1.480867 6.227664 # 2 HOH +5391 1797 2 0.423800 27.275515 2.281243 7.178131 # 2 HOH +5392 1798 1 -0.847600 33.518707 34.207649 6.808685 # 1 HOH +5393 1798 2 0.423800 33.540833 34.427147 5.831743 # 2 HOH +5394 1798 2 0.423800 32.627712 33.723450 7.077794 # 2 HOH +5395 1799 1 -0.847600 23.240175 5.101912 20.397316 # 1 HOH +5396 1799 2 0.423800 22.252794 5.246091 20.688574 # 2 HOH +5397 1799 2 0.423800 23.736563 6.030935 20.560190 # 2 HOH +5398 1800 1 -0.847600 20.646736 13.653084 21.122608 # 1 HOH +5399 1800 2 0.423800 20.053637 12.958959 21.599880 # 2 HOH +5400 1800 2 0.423800 20.098757 14.348302 20.737234 # 2 HOH +5401 1801 1 -0.847600 30.963190 39.360863 40.110268 # 1 HOH +5402 1801 2 0.423800 30.321203 39.830521 39.472034 # 2 HOH +5403 1801 2 0.423800 30.724108 38.391602 40.192230 # 2 HOH +5404 1802 1 -0.847600 2.830503 9.496354 3.720413 # 1 HOH +5405 1802 2 0.423800 2.059954 9.653996 3.135805 # 2 HOH +5406 1802 2 0.423800 2.710135 10.156386 4.362121 # 2 HOH +5407 1803 1 -0.847600 30.821609 9.231453 40.043171 # 1 HOH +5408 1803 2 0.423800 31.489727 9.823185 39.751442 # 2 HOH +5409 1803 2 0.423800 31.118147 8.396878 39.542233 # 2 HOH +5410 1804 1 -0.847600 10.862343 32.847313 26.770872 # 1 HOH +5411 1804 2 0.423800 10.963094 31.937290 26.496525 # 2 HOH +5412 1804 2 0.423800 11.499844 33.040012 27.437963 # 2 HOH +5413 1805 1 -0.847600 7.180988 17.785454 13.134706 # 1 HOH +5414 1805 2 0.423800 6.630438 17.183018 13.685496 # 2 HOH +5415 1805 2 0.423800 6.987844 18.617430 13.598854 # 2 HOH +5416 1806 1 -0.847600 1.776790 13.794291 37.343372 # 1 HOH +5417 1806 2 0.423800 1.110643 13.408245 37.882797 # 2 HOH +5418 1806 2 0.423800 1.953325 14.851846 37.646400 # 2 HOH +5419 1807 1 -0.847600 30.508093 36.042389 31.305220 # 1 HOH +5420 1807 2 0.423800 31.438429 35.989300 30.859177 # 2 HOH +5421 1807 2 0.423800 30.627108 35.721107 32.205624 # 2 HOH +5422 1808 1 -0.847600 42.213791 25.052357 35.137005 # 1 HOH +5423 1808 2 0.423800 42.312889 24.064470 35.439331 # 2 HOH +5424 1808 2 0.423800 43.108826 25.478937 35.231438 # 2 HOH +5425 1809 1 -0.847600 18.660683 41.870796 2.759173 # 1 HOH +5426 1809 2 0.423800 18.645414 40.869308 3.058006 # 2 HOH +5427 1809 2 0.423800 19.645031 42.130486 2.609387 # 2 HOH +5428 1810 1 -0.847600 3.057090 34.716434 23.817688 # 1 HOH +5429 1810 2 0.423800 2.851834 34.248375 24.722231 # 2 HOH +5430 1810 2 0.423800 2.174439 34.427818 23.326122 # 2 HOH +5431 1811 1 -0.847600 34.830299 30.241909 27.006155 # 1 HOH +5432 1811 2 0.423800 35.710457 30.236078 27.437450 # 2 HOH +5433 1811 2 0.423800 34.931519 30.698977 26.134140 # 2 HOH +5434 1812 1 -0.847600 35.699078 23.033154 26.360910 # 1 HOH +5435 1812 2 0.423800 35.931831 22.269897 25.710136 # 2 HOH +5436 1812 2 0.423800 36.131126 23.839483 25.901451 # 2 HOH +5437 1813 1 -0.847600 3.236999 38.189957 23.535551 # 1 HOH +5438 1813 2 0.423800 3.085821 37.540886 22.743494 # 2 HOH +5439 1813 2 0.423800 4.265041 38.363560 23.524353 # 2 HOH +5440 1814 1 -0.847600 3.500010 43.524368 36.948647 # 1 HOH +5441 1814 2 0.423800 2.727562 43.452385 37.511684 # 2 HOH +5442 1814 2 0.423800 3.205517 42.743034 36.344997 # 2 HOH +5443 1815 1 -0.847600 13.310115 14.566552 27.719364 # 1 HOH +5444 1815 2 0.423800 12.672465 15.275595 27.217552 # 2 HOH +5445 1815 2 0.423800 13.914337 14.997698 28.417036 # 2 HOH +5446 1816 1 -0.847600 10.091777 19.302515 39.104122 # 1 HOH +5447 1816 2 0.423800 10.463062 19.258245 40.081383 # 2 HOH +5448 1816 2 0.423800 10.364681 18.479485 38.564255 # 2 HOH +5449 1817 1 -0.847600 0.195757 8.275634 28.460766 # 1 HOH +5450 1817 2 0.423800 -0.745531 8.456372 28.720879 # 2 HOH +5451 1817 2 0.423800 0.627505 9.189607 28.815332 # 2 HOH +5452 1818 1 -0.847600 29.974607 35.882263 18.553257 # 1 HOH +5453 1818 2 0.423800 29.921946 34.987495 19.167570 # 2 HOH +5454 1818 2 0.423800 30.859642 36.296940 18.584356 # 2 HOH +5455 1819 1 -0.847600 38.253254 11.116704 15.451639 # 1 HOH +5456 1819 2 0.423800 37.383015 10.657488 15.352823 # 2 HOH +5457 1819 2 0.423800 38.837322 10.394579 15.301621 # 2 HOH +5458 1820 1 -0.847600 40.188587 39.141663 23.220531 # 1 HOH +5459 1820 2 0.423800 39.542454 39.060402 22.409218 # 2 HOH +5460 1820 2 0.423800 40.054337 38.197758 23.581207 # 2 HOH +5461 1821 1 -0.847600 28.806349 16.333382 7.557679 # 1 HOH +5462 1821 2 0.423800 29.304731 16.401907 6.761183 # 2 HOH +5463 1821 2 0.423800 28.532692 15.411115 7.668465 # 2 HOH +5464 1822 1 -0.847600 15.053917 7.731981 12.425447 # 1 HOH +5465 1822 2 0.423800 14.705762 8.375368 11.721390 # 2 HOH +5466 1822 2 0.423800 15.159565 6.931443 11.971241 # 2 HOH +5467 1823 1 -0.847600 36.056683 7.075128 21.632675 # 1 HOH +5468 1823 2 0.423800 35.829689 7.834658 21.118769 # 2 HOH +5469 1823 2 0.423800 35.173428 6.623635 21.671448 # 2 HOH +5470 1824 1 -0.847600 9.041683 33.941071 21.021994 # 1 HOH +5471 1824 2 0.423800 8.132331 33.608067 21.128496 # 2 HOH +5472 1824 2 0.423800 9.094068 34.584629 21.768471 # 2 HOH +5473 1825 1 -0.847600 32.111313 31.235552 5.221512 # 1 HOH +5474 1825 2 0.423800 33.098164 31.314106 5.108806 # 2 HOH +5475 1825 2 0.423800 31.781803 31.734760 4.453394 # 2 HOH +5476 1826 1 -0.847600 0.413118 41.620777 9.952475 # 1 HOH +5477 1826 2 0.423800 0.187490 41.785698 9.105901 # 2 HOH +5478 1826 2 0.423800 0.046528 40.754082 10.161842 # 2 HOH +5479 1827 1 -0.847600 35.054928 25.916399 34.543434 # 1 HOH +5480 1827 2 0.423800 34.661648 26.059542 35.535683 # 2 HOH +5481 1827 2 0.423800 35.372463 24.909838 34.551502 # 2 HOH +5482 1828 1 -0.847600 1.904947 22.578917 27.670563 # 1 HOH +5483 1828 2 0.423800 1.501086 22.796932 28.516609 # 2 HOH +5484 1828 2 0.423800 1.944155 23.502535 27.076252 # 2 HOH +5485 1829 1 -0.847600 14.246663 31.861423 15.481440 # 1 HOH +5486 1829 2 0.423800 14.538453 31.106752 15.910569 # 2 HOH +5487 1829 2 0.423800 13.869353 32.454319 16.223936 # 2 HOH +5488 1830 1 -0.847600 -0.747449 41.209602 25.678764 # 1 HOH +5489 1830 2 0.423800 -0.378374 41.715775 26.449451 # 2 HOH +5490 1830 2 0.423800 0.031826 40.925457 25.186392 # 2 HOH +5491 1831 1 -0.847600 7.793678 16.875105 3.446817 # 1 HOH +5492 1831 2 0.423800 8.128009 16.265251 4.199161 # 2 HOH +5493 1831 2 0.423800 7.997771 17.766840 3.963961 # 2 HOH +5494 1832 1 -0.847600 15.361850 9.817772 33.770721 # 1 HOH +5495 1832 2 0.423800 14.396542 10.131909 33.752209 # 2 HOH +5496 1832 2 0.423800 15.534579 9.792478 34.779255 # 2 HOH +5497 1833 1 -0.847600 1.194084 44.496346 29.636919 # 1 HOH +5498 1833 2 0.423800 0.432950 45.194889 29.950880 # 2 HOH +5499 1833 2 0.423800 2.028111 45.071960 29.264734 # 2 HOH +5500 1834 1 -0.847600 39.823055 20.755930 7.276669 # 1 HOH +5501 1834 2 0.423800 40.042442 21.163309 6.412582 # 2 HOH +5502 1834 2 0.423800 39.784454 19.817606 6.970695 # 2 HOH +5503 1835 1 -0.847600 14.244488 8.135674 25.424591 # 1 HOH +5504 1835 2 0.423800 15.232219 8.147168 25.732771 # 2 HOH +5505 1835 2 0.423800 14.223939 8.276350 24.471502 # 2 HOH +5506 1836 1 -0.847600 9.633275 17.577641 6.306641 # 1 HOH +5507 1836 2 0.423800 9.319748 18.146303 5.526634 # 2 HOH +5508 1836 2 0.423800 9.266988 18.041430 7.191838 # 2 HOH +5509 1837 1 -0.847600 22.888027 30.181038 30.009617 # 1 HOH +5510 1837 2 0.423800 23.004948 31.201544 29.895527 # 2 HOH +5511 1837 2 0.423800 22.348026 30.116806 30.834665 # 2 HOH +5512 1838 1 -0.847600 12.695551 41.929440 14.734720 # 1 HOH +5513 1838 2 0.423800 12.761134 42.514977 15.557275 # 2 HOH +5514 1838 2 0.423800 13.534275 41.289223 14.673987 # 2 HOH +5515 1839 1 -0.847600 14.172580 22.031059 6.845950 # 1 HOH +5516 1839 2 0.423800 13.992397 21.688118 5.867590 # 2 HOH +5517 1839 2 0.423800 13.457561 21.624905 7.325933 # 2 HOH +5518 1840 1 -0.847600 30.774374 15.486667 23.230803 # 1 HOH +5519 1840 2 0.423800 30.905792 15.287593 24.202051 # 2 HOH +5520 1840 2 0.423800 31.748079 15.215855 22.851036 # 2 HOH +5521 1841 1 -0.847600 17.979898 20.104248 18.909479 # 1 HOH +5522 1841 2 0.423800 17.063530 19.577257 19.081434 # 2 HOH +5523 1841 2 0.423800 18.270428 20.090759 17.981180 # 2 HOH +5524 1842 1 -0.847600 26.744001 28.562298 7.806730 # 1 HOH +5525 1842 2 0.423800 27.557030 28.636374 7.283516 # 2 HOH +5526 1842 2 0.423800 26.425755 29.469040 7.967507 # 2 HOH +5527 1843 1 -0.847600 8.472495 19.324501 4.132425 # 1 HOH +5528 1843 2 0.423800 8.096859 19.514978 3.261576 # 2 HOH +5529 1843 2 0.423800 8.073730 19.969240 4.813929 # 2 HOH +5530 1844 1 -0.847600 42.324581 23.534800 17.740850 # 1 HOH +5531 1844 2 0.423800 43.115524 23.662174 17.090731 # 2 HOH +5532 1844 2 0.423800 41.590599 24.251740 17.605988 # 2 HOH +5533 1845 1 -0.847600 19.662945 40.378860 34.090931 # 1 HOH +5534 1845 2 0.423800 19.968744 41.018459 33.392368 # 2 HOH +5535 1845 2 0.423800 20.455328 40.044319 34.621281 # 2 HOH +5536 1846 1 -0.847600 10.041278 31.672686 20.140444 # 1 HOH +5537 1846 2 0.423800 9.249848 31.154263 20.067871 # 2 HOH +5538 1846 2 0.423800 9.918365 32.311947 20.934689 # 2 HOH +5539 1847 1 -0.847600 30.397985 25.116697 8.205537 # 1 HOH +5540 1847 2 0.423800 30.293976 24.252235 7.719658 # 2 HOH +5541 1847 2 0.423800 29.923162 24.898373 9.080064 # 2 HOH +5542 1848 1 -0.847600 18.612740 12.307580 33.730072 # 1 HOH +5543 1848 2 0.423800 17.785318 12.580898 34.266903 # 2 HOH +5544 1848 2 0.423800 18.270634 11.541997 33.162853 # 2 HOH +5545 1849 1 -0.847600 1.444474 30.315016 35.043488 # 1 HOH +5546 1849 2 0.423800 1.924342 30.651711 35.888031 # 2 HOH +5547 1849 2 0.423800 0.710925 29.868740 35.454865 # 2 HOH +5548 1850 1 -0.847600 5.110962 -0.071709 33.658146 # 1 HOH +5549 1850 2 0.423800 5.580416 0.273665 32.956070 # 2 HOH +5550 1850 2 0.423800 5.053074 -1.055980 33.352551 # 2 HOH +5551 1851 1 -0.847600 38.402252 7.765524 3.271656 # 1 HOH +5552 1851 2 0.423800 37.498291 7.543753 3.555768 # 2 HOH +5553 1851 2 0.423800 38.990398 6.924823 3.520589 # 2 HOH +5554 1852 1 -0.847600 29.408224 34.058296 4.579594 # 1 HOH +5555 1852 2 0.423800 29.493340 33.736008 5.532501 # 2 HOH +5556 1852 2 0.423800 29.173435 35.139389 4.472280 # 2 HOH +5557 1853 1 -0.847600 34.629410 33.317112 37.951900 # 1 HOH +5558 1853 2 0.423800 34.120144 32.501045 38.251896 # 2 HOH +5559 1853 2 0.423800 33.947506 34.041180 38.233780 # 2 HOH +5560 1854 1 -0.847600 39.049026 17.031128 38.339039 # 1 HOH +5561 1854 2 0.423800 38.682751 17.541695 39.120811 # 2 HOH +5562 1854 2 0.423800 38.354500 17.295746 37.664177 # 2 HOH +5563 1855 1 -0.847600 5.246189 9.931668 10.704629 # 1 HOH +5564 1855 2 0.423800 6.055107 10.010843 11.295135 # 2 HOH +5565 1855 2 0.423800 4.830518 8.999840 11.006047 # 2 HOH +5566 1856 1 -0.847600 39.862091 43.810951 25.675667 # 1 HOH +5567 1856 2 0.423800 40.122822 43.046722 25.226707 # 2 HOH +5568 1856 2 0.423800 38.957058 43.998867 25.314026 # 2 HOH +5569 1857 1 -0.847600 38.575329 30.987169 37.016022 # 1 HOH +5570 1857 2 0.423800 37.861340 31.704424 36.973839 # 2 HOH +5571 1857 2 0.423800 39.098911 31.410044 37.833046 # 2 HOH +5572 1858 1 -0.847600 24.016766 39.396801 21.453833 # 1 HOH +5573 1858 2 0.423800 24.305685 38.751518 20.782034 # 2 HOH +5574 1858 2 0.423800 22.938257 39.434685 21.382303 # 2 HOH +5575 1859 1 -0.847600 2.185710 16.044369 40.840652 # 1 HOH +5576 1859 2 0.423800 1.982631 16.651730 41.664433 # 2 HOH +5577 1859 2 0.423800 1.597171 16.305544 40.019093 # 2 HOH +5578 1860 1 -0.847600 0.274521 7.911895 13.858015 # 1 HOH +5579 1860 2 0.423800 0.455330 8.892436 13.756858 # 2 HOH +5580 1860 2 0.423800 0.801353 7.490016 13.059940 # 2 HOH +5581 1861 1 -0.847600 5.363662 41.352421 -0.315151 # 1 HOH +5582 1861 2 0.423800 4.772840 41.486916 0.454491 # 2 HOH +5583 1861 2 0.423800 4.770016 41.347500 -1.116064 # 2 HOH +5584 1862 1 -0.847600 10.134640 3.414512 35.297398 # 1 HOH +5585 1862 2 0.423800 9.646827 2.571619 35.185696 # 2 HOH +5586 1862 2 0.423800 9.735488 4.044306 34.560226 # 2 HOH +5587 1863 1 -0.847600 37.483829 44.367104 24.671627 # 1 HOH +5588 1863 2 0.423800 36.769802 43.580086 24.588287 # 2 HOH +5589 1863 2 0.423800 37.182106 44.991005 24.004955 # 2 HOH +5590 1864 1 -0.847600 41.981255 4.380681 17.705578 # 1 HOH +5591 1864 2 0.423800 42.907806 4.355386 17.335712 # 2 HOH +5592 1864 2 0.423800 41.405083 4.818494 17.087370 # 2 HOH +5593 1865 1 -0.847600 -0.003243 21.037937 14.543266 # 1 HOH +5594 1865 2 0.423800 -0.913990 20.870882 14.255040 # 2 HOH +5595 1865 2 0.423800 0.215080 20.383986 15.290891 # 2 HOH +5596 1866 1 -0.847600 24.535854 14.446150 18.227825 # 1 HOH +5597 1866 2 0.423800 25.231157 15.224101 18.016098 # 2 HOH +5598 1866 2 0.423800 25.077499 13.675157 18.153427 # 2 HOH +5599 1867 1 -0.847600 1.082375 33.703384 16.593885 # 1 HOH +5600 1867 2 0.423800 0.565504 34.460381 17.097818 # 2 HOH +5601 1867 2 0.423800 0.687693 33.565845 15.617831 # 2 HOH +5602 1868 1 -0.847600 8.975361 21.533293 31.340204 # 1 HOH +5603 1868 2 0.423800 9.610065 20.706747 31.330122 # 2 HOH +5604 1868 2 0.423800 8.959529 21.830990 30.344471 # 2 HOH +5605 1869 1 -0.847600 4.410324 17.126612 12.886519 # 1 HOH +5606 1869 2 0.423800 5.058341 16.932032 12.216662 # 2 HOH +5607 1869 2 0.423800 3.567637 16.830622 12.531207 # 2 HOH +5608 1870 1 -0.847600 39.539745 44.114567 7.401803 # 1 HOH +5609 1870 2 0.423800 39.274559 44.005131 8.329337 # 2 HOH +5610 1870 2 0.423800 39.700417 45.105972 7.349121 # 2 HOH +5611 1871 1 -0.847600 5.440334 41.133877 38.039371 # 1 HOH +5612 1871 2 0.423800 4.966504 41.671101 38.765144 # 2 HOH +5613 1871 2 0.423800 5.045876 40.138557 38.227268 # 2 HOH +5614 1872 1 -0.847600 14.497396 18.630331 1.455831 # 1 HOH +5615 1872 2 0.423800 15.370032 18.235474 1.779634 # 2 HOH +5616 1872 2 0.423800 14.778968 19.351070 0.749307 # 2 HOH +5617 1873 1 -0.847600 0.992757 25.830034 14.039120 # 1 HOH +5618 1873 2 0.423800 1.986930 25.730093 14.225113 # 2 HOH +5619 1873 2 0.423800 0.634291 25.931540 15.035719 # 2 HOH +5620 1874 1 -0.847600 38.082531 4.132152 39.283443 # 1 HOH +5621 1874 2 0.423800 38.513882 4.593206 38.610298 # 2 HOH +5622 1874 2 0.423800 37.340446 4.656315 39.660236 # 2 HOH +5623 1875 1 -0.847600 30.756359 32.364567 12.201244 # 1 HOH +5624 1875 2 0.423800 29.997578 31.874889 12.547997 # 2 HOH +5625 1875 2 0.423800 30.420277 33.041683 11.571015 # 2 HOH +5626 1876 1 -0.847600 28.311441 29.689215 0.257996 # 1 HOH +5627 1876 2 0.423800 29.033304 30.089550 0.955116 # 2 HOH +5628 1876 2 0.423800 28.248837 28.760061 0.622217 # 2 HOH +5629 1877 1 -0.847600 20.944117 20.440504 28.419098 # 1 HOH +5630 1877 2 0.423800 20.926016 20.963444 27.562841 # 2 HOH +5631 1877 2 0.423800 20.993683 21.091518 29.143442 # 2 HOH +5632 1878 1 -0.847600 33.233826 16.740984 41.181217 # 1 HOH +5633 1878 2 0.423800 34.107346 16.520222 41.583004 # 2 HOH +5634 1878 2 0.423800 32.854649 17.602736 41.682934 # 2 HOH +5635 1879 1 -0.847600 29.541796 34.294308 0.994290 # 1 HOH +5636 1879 2 0.423800 29.193607 35.091068 1.500357 # 2 HOH +5637 1879 2 0.423800 29.818497 34.614223 0.070254 # 2 HOH +5638 1880 1 -0.847600 21.056765 42.185482 32.427040 # 1 HOH +5639 1880 2 0.423800 20.299608 42.808083 32.114212 # 2 HOH +5640 1880 2 0.423800 21.795527 42.746983 32.731289 # 2 HOH +5641 1881 1 -0.847600 15.094716 19.353716 37.265701 # 1 HOH +5642 1881 2 0.423800 14.630168 18.768204 37.931648 # 2 HOH +5643 1881 2 0.423800 14.640467 20.342031 37.375900 # 2 HOH +5644 1882 1 -0.847600 39.264870 10.563616 37.765804 # 1 HOH +5645 1882 2 0.423800 40.048321 10.774055 37.020630 # 2 HOH +5646 1882 2 0.423800 38.902958 9.569297 37.732018 # 2 HOH +5647 1883 1 -0.847600 35.538433 11.334029 5.726883 # 1 HOH +5648 1883 2 0.423800 36.513897 11.016713 5.713962 # 2 HOH +5649 1883 2 0.423800 35.522331 12.078076 6.350616 # 2 HOH +5650 1884 1 -0.847600 3.691328 31.320169 2.230224 # 1 HOH +5651 1884 2 0.423800 4.428106 30.785624 2.581446 # 2 HOH +5652 1884 2 0.423800 3.108373 30.740234 1.629955 # 2 HOH +5653 1885 1 -0.847600 36.711662 3.231383 34.478512 # 1 HOH +5654 1885 2 0.423800 36.441463 3.660318 33.542156 # 2 HOH +5655 1885 2 0.423800 36.085701 3.674657 35.100037 # 2 HOH +5656 1886 1 -0.847600 25.770222 16.390314 24.808769 # 1 HOH +5657 1886 2 0.423800 26.785406 15.900591 24.746435 # 2 HOH +5658 1886 2 0.423800 25.292332 15.678711 25.174135 # 2 HOH +5659 1887 1 -0.847600 19.652704 36.439785 28.057138 # 1 HOH +5660 1887 2 0.423800 19.995861 37.193787 28.538614 # 2 HOH +5661 1887 2 0.423800 18.847523 36.174011 28.626677 # 2 HOH +5662 1888 1 -0.847600 39.047302 43.916458 15.279392 # 1 HOH +5663 1888 2 0.423800 40.027977 43.620384 15.434855 # 2 HOH +5664 1888 2 0.423800 38.844707 44.621868 16.006130 # 2 HOH +5665 1889 1 -0.847600 14.708534 20.916441 26.774275 # 1 HOH +5666 1889 2 0.423800 15.055796 20.464418 27.566975 # 2 HOH +5667 1889 2 0.423800 15.324701 21.719103 26.579800 # 2 HOH +5668 1890 1 -0.847600 34.219978 26.370562 11.320946 # 1 HOH +5669 1890 2 0.423800 33.532692 26.059818 11.956448 # 2 HOH +5670 1890 2 0.423800 33.752876 26.299686 10.404692 # 2 HOH +5671 1891 1 -0.847600 30.209570 0.130817 39.950436 # 1 HOH +5672 1891 2 0.423800 30.654629 0.750647 39.213455 # 2 HOH +5673 1891 2 0.423800 30.290411 0.594027 40.829723 # 2 HOH +5674 1892 1 -0.847600 37.901085 27.224731 -0.834274 # 1 HOH +5675 1892 2 0.423800 37.805664 27.634644 0.094071 # 2 HOH +5676 1892 2 0.423800 38.856861 27.538691 -1.046068 # 2 HOH +5677 1893 1 -0.847600 34.846527 13.416643 7.351592 # 1 HOH +5678 1893 2 0.423800 35.429489 13.267559 8.170511 # 2 HOH +5679 1893 2 0.423800 33.957115 13.072497 7.643320 # 2 HOH +5680 1894 1 -0.847600 27.152121 23.678701 12.375531 # 1 HOH +5681 1894 2 0.423800 27.434389 24.047274 11.522302 # 2 HOH +5682 1894 2 0.423800 26.756647 24.464516 12.868490 # 2 HOH +5683 1895 1 -0.847600 20.227432 39.693161 40.937096 # 1 HOH +5684 1895 2 0.423800 19.735237 40.309696 40.292507 # 2 HOH +5685 1895 2 0.423800 20.852272 40.347214 41.321651 # 2 HOH +5686 1896 1 -0.847600 27.787497 38.277367 15.123008 # 1 HOH +5687 1896 2 0.423800 27.429998 37.357399 14.953565 # 2 HOH +5688 1896 2 0.423800 28.503223 38.436275 14.469763 # 2 HOH +5689 1897 1 -0.847600 36.731350 17.706928 37.122040 # 1 HOH +5690 1897 2 0.423800 36.547413 17.830532 36.150620 # 2 HOH +5691 1897 2 0.423800 35.882092 17.586756 37.555523 # 2 HOH +5692 1898 1 -0.847600 20.319975 27.196012 37.971851 # 1 HOH +5693 1898 2 0.423800 20.020823 26.304029 37.747967 # 2 HOH +5694 1898 2 0.423800 20.995428 26.976147 38.657475 # 2 HOH +5695 1899 1 -0.847600 3.582752 0.964411 29.232731 # 1 HOH +5696 1899 2 0.423800 3.674215 1.624467 29.950609 # 2 HOH +5697 1899 2 0.423800 4.139571 0.199308 29.525063 # 2 HOH +5698 1900 1 -0.847600 38.161690 1.378265 31.765369 # 1 HOH +5699 1900 2 0.423800 37.751957 1.447678 30.810345 # 2 HOH +5700 1900 2 0.423800 37.426605 1.076032 32.376240 # 2 HOH +5701 1901 1 -0.847600 1.654158 0.791271 21.681438 # 1 HOH +5702 1901 2 0.423800 1.860033 0.243035 22.533195 # 2 HOH +5703 1901 2 0.423800 1.628391 1.684382 22.065403 # 2 HOH +5704 1902 1 -0.847600 16.593493 32.924568 21.349051 # 1 HOH +5705 1902 2 0.423800 15.655124 33.283077 21.501711 # 2 HOH +5706 1902 2 0.423800 16.441578 31.947613 21.192787 # 2 HOH +5707 1903 1 -0.847600 0.858356 32.688671 33.653069 # 1 HOH +5708 1903 2 0.423800 1.183606 31.717159 33.822674 # 2 HOH +5709 1903 2 0.423800 0.273126 32.894070 34.421177 # 2 HOH +5710 1904 1 -0.847600 3.277852 35.038670 8.539515 # 1 HOH +5711 1904 2 0.423800 3.011553 35.612339 7.802073 # 2 HOH +5712 1904 2 0.423800 3.597591 35.670124 9.306223 # 2 HOH +5713 1905 1 -0.847600 19.182652 43.337135 30.912390 # 1 HOH +5714 1905 2 0.423800 19.526426 44.191265 30.562613 # 2 HOH +5715 1905 2 0.423800 19.360788 42.666065 30.178314 # 2 HOH +5716 1906 1 -0.847600 33.710152 1.274703 4.296865 # 1 HOH +5717 1906 2 0.423800 32.740791 1.381561 4.554283 # 2 HOH +5718 1906 2 0.423800 34.176117 0.824824 4.944739 # 2 HOH +5719 1907 1 -0.847600 37.176624 17.591326 22.532635 # 1 HOH +5720 1907 2 0.423800 37.839447 17.902872 23.030525 # 2 HOH +5721 1907 2 0.423800 37.463501 17.738758 21.556072 # 2 HOH +5722 1908 1 -0.847600 3.468954 22.523972 13.271049 # 1 HOH +5723 1908 2 0.423800 3.328272 22.228004 14.242917 # 2 HOH +5724 1908 2 0.423800 2.922412 22.015221 12.692945 # 2 HOH +5725 1909 1 -0.847600 16.979422 38.833904 2.649298 # 1 HOH +5726 1909 2 0.423800 17.828184 38.570206 2.763319 # 2 HOH +5727 1909 2 0.423800 16.923033 38.774395 1.674378 # 2 HOH +5728 1910 1 -0.847600 29.923512 17.582693 39.033215 # 1 HOH +5729 1910 2 0.423800 29.870544 18.484514 38.554203 # 2 HOH +5730 1910 2 0.423800 29.825529 17.557411 40.012478 # 2 HOH +5731 1911 1 -0.847600 14.094007 36.124577 27.117062 # 1 HOH +5732 1911 2 0.423800 14.483895 36.030613 26.265862 # 2 HOH +5733 1911 2 0.423800 14.643390 36.869373 27.564312 # 2 HOH +5734 1912 1 -0.847600 25.467838 40.056576 11.254225 # 1 HOH +5735 1912 2 0.423800 25.381847 40.945293 11.567242 # 2 HOH +5736 1912 2 0.423800 24.719624 39.994949 10.578103 # 2 HOH +5737 1913 1 -0.847600 22.307240 28.656651 35.638721 # 1 HOH +5738 1913 2 0.423800 22.623541 29.586416 35.387932 # 2 HOH +5739 1913 2 0.423800 21.646481 28.895350 36.459167 # 2 HOH +5740 1914 1 -0.847600 39.086029 28.316545 37.709785 # 1 HOH +5741 1914 2 0.423800 38.756630 29.347538 37.581116 # 2 HOH +5742 1914 2 0.423800 38.240353 27.928690 37.245014 # 2 HOH +5743 1915 1 -0.847600 31.088232 27.109001 20.965862 # 1 HOH +5744 1915 2 0.423800 30.368391 27.476805 21.556906 # 2 HOH +5745 1915 2 0.423800 31.605957 27.895258 20.695274 # 2 HOH +5746 1916 1 -0.847600 9.898864 27.146578 19.105862 # 1 HOH +5747 1916 2 0.423800 9.709790 26.335577 19.658466 # 2 HOH +5748 1916 2 0.423800 10.470644 27.710947 19.755877 # 2 HOH +5749 1917 1 -0.847600 25.063086 28.988728 40.670059 # 1 HOH +5750 1917 2 0.423800 24.927742 29.628023 41.348564 # 2 HOH +5751 1917 2 0.423800 25.159294 29.649099 39.816853 # 2 HOH +5752 1918 1 -0.847600 23.319023 22.471582 26.461775 # 1 HOH +5753 1918 2 0.423800 23.307848 23.388710 26.928509 # 2 HOH +5754 1918 2 0.423800 22.356886 22.225771 26.318943 # 2 HOH +5755 1919 1 -0.847600 34.712513 3.899457 29.226484 # 1 HOH +5756 1919 2 0.423800 35.491405 4.452131 28.841993 # 2 HOH +5757 1919 2 0.423800 34.311783 3.622266 28.304670 # 2 HOH +5758 1920 1 -0.847600 8.758113 3.306947 42.358154 # 1 HOH +5759 1920 2 0.423800 9.817191 3.318957 42.434254 # 2 HOH +5760 1920 2 0.423800 8.474605 2.530536 42.767986 # 2 HOH +5761 1921 1 -0.847600 5.522669 19.648354 40.167183 # 1 HOH +5762 1921 2 0.423800 4.614325 19.710859 39.908573 # 2 HOH +5763 1921 2 0.423800 5.548236 18.781286 40.620754 # 2 HOH +5764 1922 1 -0.847600 21.378847 22.387991 19.183504 # 1 HOH +5765 1922 2 0.423800 21.544168 23.281004 18.750275 # 2 HOH +5766 1922 2 0.423800 22.116629 22.322037 19.867689 # 2 HOH +5767 1923 1 -0.847600 5.844379 22.687069 20.557419 # 1 HOH +5768 1923 2 0.423800 6.573913 23.030605 21.063139 # 2 HOH +5769 1923 2 0.423800 6.222223 22.463758 19.634733 # 2 HOH +5770 1924 1 -0.847600 26.489197 16.422707 35.073357 # 1 HOH +5771 1924 2 0.423800 25.528994 16.536512 34.982506 # 2 HOH +5772 1924 2 0.423800 26.566105 16.312672 36.036304 # 2 HOH +5773 1925 1 -0.847600 35.607773 8.220339 25.034468 # 1 HOH +5774 1925 2 0.423800 36.449932 7.852473 24.460629 # 2 HOH +5775 1925 2 0.423800 35.978863 8.258207 25.965675 # 2 HOH +5776 1926 1 -0.847600 5.799029 1.217812 26.741852 # 1 HOH +5777 1926 2 0.423800 5.549479 0.280314 26.972540 # 2 HOH +5778 1926 2 0.423800 6.060685 1.612997 27.591684 # 2 HOH +5779 1927 1 -0.847600 28.696011 20.388414 20.854708 # 1 HOH +5780 1927 2 0.423800 29.457672 19.762403 20.998297 # 2 HOH +5781 1927 2 0.423800 27.951330 19.873014 20.384884 # 2 HOH +5782 1928 1 -0.847600 11.533041 35.323772 35.402260 # 1 HOH +5783 1928 2 0.423800 12.009742 34.413620 35.282021 # 2 HOH +5784 1928 2 0.423800 11.084645 35.339970 34.574810 # 2 HOH +5785 1929 1 -0.847600 38.918243 10.419357 41.846909 # 1 HOH +5786 1929 2 0.423800 39.609482 10.665238 41.181557 # 2 HOH +5787 1929 2 0.423800 38.054199 10.978965 41.536430 # 2 HOH +5788 1930 1 -0.847600 36.520252 44.373749 11.453001 # 1 HOH +5789 1930 2 0.423800 36.923470 43.847900 10.692990 # 2 HOH +5790 1930 2 0.423800 36.582256 43.747410 12.210768 # 2 HOH +5791 1931 1 -0.847600 31.510281 31.307285 26.958040 # 1 HOH +5792 1931 2 0.423800 30.514303 31.649185 27.178726 # 2 HOH +5793 1931 2 0.423800 31.999489 31.344387 27.867933 # 2 HOH +5794 1932 1 -0.847600 25.198147 21.736410 12.270638 # 1 HOH +5795 1932 2 0.423800 25.747602 22.510170 12.261371 # 2 HOH +5796 1932 2 0.423800 25.408278 21.203140 13.101477 # 2 HOH +5797 1933 1 -0.847600 39.325062 28.364092 4.579601 # 1 HOH +5798 1933 2 0.423800 38.539581 28.629229 5.132135 # 2 HOH +5799 1933 2 0.423800 40.103817 28.839024 4.936625 # 2 HOH +5800 1934 1 -0.847600 11.248059 23.237179 18.634562 # 1 HOH +5801 1934 2 0.423800 11.432777 22.412424 18.116777 # 2 HOH +5802 1934 2 0.423800 10.702231 23.960306 18.024376 # 2 HOH +5803 1935 1 -0.847600 11.507917 40.141689 12.852870 # 1 HOH +5804 1935 2 0.423800 11.774467 40.702560 13.680604 # 2 HOH +5805 1935 2 0.423800 12.188869 40.261879 12.119769 # 2 HOH +5806 1936 1 -0.847600 0.546893 4.875663 26.297781 # 1 HOH +5807 1936 2 0.423800 0.572041 4.835429 27.225821 # 2 HOH +5808 1936 2 0.423800 1.152634 4.240699 25.904907 # 2 HOH +5809 1937 1 -0.847600 37.956665 27.572840 26.652082 # 1 HOH +5810 1937 2 0.423800 38.497662 26.804495 26.767323 # 2 HOH +5811 1937 2 0.423800 37.017494 27.179934 26.762148 # 2 HOH +5812 1938 1 -0.847600 28.869797 20.391630 -0.294227 # 1 HOH +5813 1938 2 0.423800 29.436443 21.049038 -0.881063 # 2 HOH +5814 1938 2 0.423800 28.455368 20.990797 0.452512 # 2 HOH +5815 1939 1 -0.847600 41.905937 3.207126 35.431305 # 1 HOH +5816 1939 2 0.423800 41.771500 4.048181 34.870106 # 2 HOH +5817 1939 2 0.423800 41.351254 2.538772 34.997257 # 2 HOH +5818 1940 1 -0.847600 15.053262 29.811506 7.562089 # 1 HOH +5819 1940 2 0.423800 15.756038 29.030724 7.493326 # 2 HOH +5820 1940 2 0.423800 14.657917 29.514648 8.473638 # 2 HOH +5821 1941 1 -0.847600 6.421080 22.149364 34.007256 # 1 HOH +5822 1941 2 0.423800 6.757475 21.171280 33.948936 # 2 HOH +5823 1941 2 0.423800 7.352540 22.572618 34.039848 # 2 HOH +5824 1942 1 -0.847600 4.700088 31.236074 10.571198 # 1 HOH +5825 1942 2 0.423800 4.610684 30.238287 10.456167 # 2 HOH +5826 1942 2 0.423800 3.806876 31.373537 11.023088 # 2 HOH +5827 1943 1 -0.847600 39.667538 23.941809 6.560629 # 1 HOH +5828 1943 2 0.423800 39.718227 24.549364 5.712658 # 2 HOH +5829 1943 2 0.423800 38.676350 24.061831 6.942062 # 2 HOH +5830 1944 1 -0.847600 26.027744 20.027447 35.000542 # 1 HOH +5831 1944 2 0.423800 25.493795 20.806421 35.073296 # 2 HOH +5832 1944 2 0.423800 25.941236 19.558165 35.880280 # 2 HOH +5833 1945 1 -0.847600 39.737835 30.932661 31.738806 # 1 HOH +5834 1945 2 0.423800 40.534863 30.969854 32.210030 # 2 HOH +5835 1945 2 0.423800 40.136929 30.850193 30.842976 # 2 HOH +5836 1946 1 -0.847600 16.733467 32.743801 18.516369 # 1 HOH +5837 1946 2 0.423800 16.777557 32.915161 19.591572 # 2 HOH +5838 1946 2 0.423800 17.388012 33.306282 18.057993 # 2 HOH +5839 1947 1 -0.847600 21.921926 24.745340 28.069302 # 1 HOH +5840 1947 2 0.423800 20.958885 24.989098 27.790831 # 2 HOH +5841 1947 2 0.423800 21.746002 23.976669 28.787672 # 2 HOH +5842 1948 1 -0.847600 16.417995 11.154267 4.390386 # 1 HOH +5843 1948 2 0.423800 16.116394 11.485705 3.467324 # 2 HOH +5844 1948 2 0.423800 16.979979 10.311106 4.274807 # 2 HOH +5845 1949 1 -0.847600 25.587755 8.847228 26.393002 # 1 HOH +5846 1949 2 0.423800 26.195034 9.446933 26.847506 # 2 HOH +5847 1949 2 0.423800 26.237688 8.079676 26.317333 # 2 HOH +5848 1950 1 -0.847600 11.685139 17.413662 15.697429 # 1 HOH +5849 1950 2 0.423800 12.035838 16.571352 16.228746 # 2 HOH +5850 1950 2 0.423800 10.990673 17.038967 15.020330 # 2 HOH +5851 1951 1 -0.847600 6.481187 21.663776 17.759624 # 1 HOH +5852 1951 2 0.423800 7.310693 22.066669 18.219711 # 2 HOH +5853 1951 2 0.423800 6.415258 22.212950 16.918856 # 2 HOH +5854 1952 1 -0.847600 43.182190 40.981293 32.073925 # 1 HOH +5855 1952 2 0.423800 43.945705 41.690708 31.919806 # 2 HOH +5856 1952 2 0.423800 43.656891 40.163868 32.303909 # 2 HOH +5857 1953 1 -0.847600 27.886948 43.628830 10.671187 # 1 HOH +5858 1953 2 0.423800 28.280083 42.849377 11.129445 # 2 HOH +5859 1953 2 0.423800 27.535658 44.103939 11.454363 # 2 HOH +5860 1954 1 -0.847600 41.228275 18.715799 16.928873 # 1 HOH +5861 1954 2 0.423800 40.921944 19.638025 17.016434 # 2 HOH +5862 1954 2 0.423800 41.597992 18.513800 17.888704 # 2 HOH +5863 1955 1 -0.847600 3.627531 36.856827 10.688745 # 1 HOH +5864 1955 2 0.423800 3.024556 37.625458 10.761829 # 2 HOH +5865 1955 2 0.423800 4.359982 36.940765 11.398559 # 2 HOH +5866 1956 1 -0.847600 41.672894 -0.396727 16.821306 # 1 HOH +5867 1956 2 0.423800 41.566814 0.051061 17.662264 # 2 HOH +5868 1956 2 0.423800 42.486805 -1.028279 16.931648 # 2 HOH +5869 1957 1 -0.847600 4.631831 42.175732 33.283878 # 1 HOH +5870 1957 2 0.423800 5.041547 41.796627 32.417336 # 2 HOH +5871 1957 2 0.423800 5.197532 41.757092 34.013386 # 2 HOH +5872 1958 1 -0.847600 0.346760 12.368962 6.769501 # 1 HOH +5873 1958 2 0.423800 1.163999 12.057549 6.255234 # 2 HOH +5874 1958 2 0.423800 -0.091436 13.044424 6.210216 # 2 HOH +5875 1959 1 -0.847600 15.898956 24.521067 21.937206 # 1 HOH +5876 1959 2 0.423800 15.557977 23.676664 21.660801 # 2 HOH +5877 1959 2 0.423800 16.630352 24.204885 22.404768 # 2 HOH +5878 1960 1 -0.847600 34.243820 17.330404 17.083097 # 1 HOH +5879 1960 2 0.423800 35.300533 17.320166 17.093906 # 2 HOH +5880 1960 2 0.423800 34.036633 16.458776 17.470549 # 2 HOH +5881 1961 1 -0.847600 27.426695 10.354006 19.097521 # 1 HOH +5882 1961 2 0.423800 27.089178 9.381887 19.360405 # 2 HOH +5883 1961 2 0.423800 28.293043 10.564226 19.591236 # 2 HOH +5884 1962 1 -0.847600 41.020306 8.280276 10.300858 # 1 HOH +5885 1962 2 0.423800 40.727764 8.237487 11.155555 # 2 HOH +5886 1962 2 0.423800 40.884674 7.368924 10.044175 # 2 HOH +5887 1963 1 -0.847600 13.107570 42.295086 28.833059 # 1 HOH +5888 1963 2 0.423800 13.111170 42.366299 27.821203 # 2 HOH +5889 1963 2 0.423800 13.978742 42.481842 29.117041 # 2 HOH +5890 1964 1 -0.847600 21.618788 33.573257 36.889755 # 1 HOH +5891 1964 2 0.423800 21.071466 33.946274 36.092915 # 2 HOH +5892 1964 2 0.423800 20.868076 33.223938 37.436619 # 2 HOH +5893 1965 1 -0.847600 31.260906 9.105156 20.045465 # 1 HOH +5894 1965 2 0.423800 30.803356 9.872572 19.713078 # 2 HOH +5895 1965 2 0.423800 32.075481 9.505265 20.517397 # 2 HOH +5896 1966 1 -0.847600 28.673788 28.807467 33.579746 # 1 HOH +5897 1966 2 0.423800 27.769554 29.162066 33.815643 # 2 HOH +5898 1966 2 0.423800 28.957973 29.367350 32.813793 # 2 HOH +5899 1967 1 -0.847600 7.281730 25.368288 36.056549 # 1 HOH +5900 1967 2 0.423800 7.058946 25.709887 37.020149 # 2 HOH +5901 1967 2 0.423800 8.315433 25.185419 36.072453 # 2 HOH +5902 1968 1 -0.847600 4.432805 3.341093 37.335167 # 1 HOH +5903 1968 2 0.423800 4.368566 2.433710 36.821838 # 2 HOH +5904 1968 2 0.423800 3.858092 3.112810 38.025211 # 2 HOH +5905 1969 1 -0.847600 27.400957 10.727126 27.062143 # 1 HOH +5906 1969 2 0.423800 28.095602 11.439269 27.002678 # 2 HOH +5907 1969 2 0.423800 27.418558 10.517243 28.091722 # 2 HOH +5908 1970 1 -0.847600 35.608818 11.022413 39.381023 # 1 HOH +5909 1970 2 0.423800 36.063004 11.209388 40.255367 # 2 HOH +5910 1970 2 0.423800 35.928009 11.815287 38.925282 # 2 HOH +5911 1971 1 -0.847600 0.372753 37.163315 9.926449 # 1 HOH +5912 1971 2 0.423800 1.091015 37.713821 10.543359 # 2 HOH +5913 1971 2 0.423800 0.700767 37.165440 8.919230 # 2 HOH +5914 1972 1 -0.847600 16.826283 26.230648 9.619884 # 1 HOH +5915 1972 2 0.423800 16.040127 25.628958 9.491606 # 2 HOH +5916 1972 2 0.423800 17.524548 25.607370 9.180573 # 2 HOH +5917 1973 1 -0.847600 4.685782 8.026269 24.137609 # 1 HOH +5918 1973 2 0.423800 5.255433 8.854390 23.954184 # 2 HOH +5919 1973 2 0.423800 3.972949 8.374393 24.683416 # 2 HOH +5920 1974 1 -0.847600 8.408607 9.839334 10.735210 # 1 HOH +5921 1974 2 0.423800 8.478661 9.187017 11.474752 # 2 HOH +5922 1974 2 0.423800 9.318699 9.943105 10.407376 # 2 HOH +5923 1975 1 -0.847600 13.277733 33.253746 35.187328 # 1 HOH +5924 1975 2 0.423800 12.765376 32.777981 34.399246 # 2 HOH +5925 1975 2 0.423800 13.805570 32.587635 35.604153 # 2 HOH +5926 1976 1 -0.847600 9.334826 38.851200 19.031679 # 1 HOH +5927 1976 2 0.423800 8.803521 38.589626 18.176847 # 2 HOH +5928 1976 2 0.423800 10.061682 38.150101 19.015131 # 2 HOH +5929 1977 1 -0.847600 33.802570 44.158207 19.944969 # 1 HOH +5930 1977 2 0.423800 34.564960 43.603909 20.127317 # 2 HOH +5931 1977 2 0.423800 33.694901 44.905582 20.622017 # 2 HOH +5932 1978 1 -0.847600 8.816271 42.196907 11.680447 # 1 HOH +5933 1978 2 0.423800 8.812248 42.298584 12.705340 # 2 HOH +5934 1978 2 0.423800 9.770983 42.110989 11.376034 # 2 HOH +5935 1979 1 -0.847600 2.919601 5.667470 0.887483 # 1 HOH +5936 1979 2 0.423800 2.624810 5.444838 1.815456 # 2 HOH +5937 1979 2 0.423800 3.689216 5.024086 0.703890 # 2 HOH +5938 1980 1 -0.847600 33.785236 44.719479 27.094990 # 1 HOH +5939 1980 2 0.423800 34.683186 44.709366 26.642319 # 2 HOH +5940 1980 2 0.423800 33.282452 45.370800 26.652294 # 2 HOH +5941 1981 1 -0.847600 28.500513 11.997820 42.099174 # 1 HOH +5942 1981 2 0.423800 27.644499 12.514154 41.931160 # 2 HOH +5943 1981 2 0.423800 28.172998 11.092052 42.128105 # 2 HOH +5944 1982 1 -0.847600 30.501284 39.635830 30.424192 # 1 HOH +5945 1982 2 0.423800 29.607340 39.339436 30.437872 # 2 HOH +5946 1982 2 0.423800 30.911806 39.400185 31.279778 # 2 HOH +5947 1983 1 -0.847600 18.641214 14.373891 9.149487 # 1 HOH +5948 1983 2 0.423800 19.547319 13.988054 9.144792 # 2 HOH +5949 1983 2 0.423800 18.231104 13.872679 8.362791 # 2 HOH +5950 1984 1 -0.847600 16.964705 37.754326 37.985340 # 1 HOH +5951 1984 2 0.423800 17.094826 38.178406 36.925472 # 2 HOH +5952 1984 2 0.423800 17.736273 37.060135 38.007626 # 2 HOH +5953 1985 1 -0.847600 35.669621 18.158785 42.240906 # 1 HOH +5954 1985 2 0.423800 36.051544 18.277348 43.221027 # 2 HOH +5955 1985 2 0.423800 35.062031 18.928858 42.097214 # 2 HOH +5956 1986 1 -0.847600 24.113684 43.701828 19.921387 # 1 HOH +5957 1986 2 0.423800 23.710045 44.186024 20.710972 # 2 HOH +5958 1986 2 0.423800 24.757887 43.037781 20.332115 # 2 HOH +5959 1987 1 -0.847600 42.554241 26.351185 15.948417 # 1 HOH +5960 1987 2 0.423800 41.650860 26.175922 15.513406 # 2 HOH +5961 1987 2 0.423800 42.195869 26.873333 16.754175 # 2 HOH +5962 1988 1 -0.847600 6.691699 30.201672 28.022230 # 1 HOH +5963 1988 2 0.423800 6.386734 29.697586 27.227348 # 2 HOH +5964 1988 2 0.423800 6.333507 31.086147 27.879959 # 2 HOH +5965 1989 1 -0.847600 9.855508 38.236794 12.315397 # 1 HOH +5966 1989 2 0.423800 10.116840 37.371201 12.055946 # 2 HOH +5967 1989 2 0.423800 10.607911 38.818005 12.197272 # 2 HOH +5968 1990 1 -0.847600 26.269114 38.754635 28.416872 # 1 HOH +5969 1990 2 0.423800 26.951597 39.294621 28.723810 # 2 HOH +5970 1990 2 0.423800 25.909426 38.372353 29.272221 # 2 HOH +5971 1991 1 -0.847600 7.791561 36.742657 -0.101347 # 1 HOH +5972 1991 2 0.423800 7.716861 37.733746 0.120464 # 2 HOH +5973 1991 2 0.423800 8.403594 36.743206 -0.935132 # 2 HOH +5974 1992 1 -0.847600 3.498043 40.839447 16.355265 # 1 HOH +5975 1992 2 0.423800 3.233639 41.107246 17.317514 # 2 HOH +5976 1992 2 0.423800 3.080573 41.551151 15.728201 # 2 HOH +5977 1993 1 -0.847600 8.272381 22.100054 3.384029 # 1 HOH +5978 1993 2 0.423800 7.497900 21.562662 2.994874 # 2 HOH +5979 1993 2 0.423800 9.076530 21.787680 2.870705 # 2 HOH +5980 1994 1 -0.847600 39.984116 33.751961 14.442894 # 1 HOH +5981 1994 2 0.423800 39.455467 34.500843 14.832294 # 2 HOH +5982 1994 2 0.423800 40.641457 34.273285 13.905176 # 2 HOH +5983 1995 1 -0.847600 36.446922 27.206598 32.613262 # 1 HOH +5984 1995 2 0.423800 35.673878 26.762653 33.172836 # 2 HOH +5985 1995 2 0.423800 36.745770 26.502371 32.076206 # 2 HOH +5986 1996 1 -0.847600 7.039679 33.620293 31.608944 # 1 HOH +5987 1996 2 0.423800 6.909039 34.345963 32.216949 # 2 HOH +5988 1996 2 0.423800 7.054059 32.841602 32.188812 # 2 HOH +5989 1997 1 -0.847600 41.526012 28.769255 8.939087 # 1 HOH +5990 1997 2 0.423800 40.955162 27.948021 8.857529 # 2 HOH +5991 1997 2 0.423800 42.479233 28.410261 8.825651 # 2 HOH +5992 1998 1 -0.847600 18.584360 34.660267 7.484849 # 1 HOH +5993 1998 2 0.423800 18.393242 35.497612 7.869969 # 2 HOH +5994 1998 2 0.423800 17.756744 34.501778 6.926499 # 2 HOH +5995 1999 1 -0.847600 22.890564 35.259876 16.268871 # 1 HOH +5996 1999 2 0.423800 23.633011 34.927380 15.578619 # 2 HOH +5997 1999 2 0.423800 22.666147 36.019764 15.593019 # 2 HOH +5998 2000 1 -0.847600 11.746431 14.501509 16.620214 # 1 HOH +5999 2000 2 0.423800 12.463731 14.308707 17.326353 # 2 HOH +6000 2000 2 0.423800 10.984176 14.857747 17.087168 # 2 HOH +6001 2001 1 -0.847600 33.405388 25.437443 8.872870 # 1 HOH +6002 2001 2 0.423800 32.461319 25.116184 8.653110 # 2 HOH +6003 2001 2 0.423800 33.928669 25.180471 8.053856 # 2 HOH +6004 2002 1 -0.847600 3.062284 36.523521 18.185057 # 1 HOH +6005 2002 2 0.423800 2.648374 37.219456 17.506300 # 2 HOH +6006 2002 2 0.423800 3.432614 35.831135 17.663263 # 2 HOH +6007 2003 1 -0.847600 7.695168 44.848366 31.272432 # 1 HOH +6008 2003 2 0.423800 8.161372 44.523682 32.140129 # 2 HOH +6009 2003 2 0.423800 7.798618 45.894989 31.387331 # 2 HOH +6010 2004 1 -0.847600 9.355222 14.087112 40.750912 # 1 HOH +6011 2004 2 0.423800 10.261878 13.980668 41.006420 # 2 HOH +6012 2004 2 0.423800 9.391954 13.188111 40.230263 # 2 HOH +6013 2005 1 -0.847600 34.352734 41.456486 36.177067 # 1 HOH +6014 2005 2 0.423800 34.331738 40.768009 36.977955 # 2 HOH +6015 2005 2 0.423800 35.255676 41.805969 35.911839 # 2 HOH +6016 2006 1 -0.847600 19.343016 28.456181 4.797480 # 1 HOH +6017 2006 2 0.423800 19.816416 27.684256 5.247966 # 2 HOH +6018 2006 2 0.423800 18.406433 28.426538 5.111156 # 2 HOH +6019 2007 1 -0.847600 35.942638 28.775928 39.350739 # 1 HOH +6020 2007 2 0.423800 36.641544 28.299900 39.916298 # 2 HOH +6021 2007 2 0.423800 36.158894 29.754772 39.647343 # 2 HOH +6022 2008 1 -0.847600 19.017757 33.437889 11.724713 # 1 HOH +6023 2008 2 0.423800 18.197218 33.709694 11.107944 # 2 HOH +6024 2008 2 0.423800 18.829451 33.539116 12.705267 # 2 HOH +6025 2009 1 -0.847600 10.406531 44.427719 39.035976 # 1 HOH +6026 2009 2 0.423800 9.616282 43.842716 39.167721 # 2 HOH +6027 2009 2 0.423800 11.028189 43.723953 38.752140 # 2 HOH +6028 2010 1 -0.847600 11.090076 12.878108 23.750790 # 1 HOH +6029 2010 2 0.423800 11.776425 13.624146 23.636505 # 2 HOH +6030 2010 2 0.423800 11.539208 12.131040 24.403316 # 2 HOH +6031 2011 1 -0.847600 16.501280 2.238104 25.982231 # 1 HOH +6032 2011 2 0.423800 15.932181 2.172831 25.253977 # 2 HOH +6033 2011 2 0.423800 17.121399 3.069033 25.956680 # 2 HOH +6034 2012 1 -0.847600 8.480283 12.577623 23.085926 # 1 HOH +6035 2012 2 0.423800 9.493896 12.847041 23.400740 # 2 HOH +6036 2012 2 0.423800 8.134454 12.094797 23.960510 # 2 HOH +6037 2013 1 -0.847600 37.612762 30.125908 11.256791 # 1 HOH +6038 2013 2 0.423800 37.844769 30.998549 11.716599 # 2 HOH +6039 2013 2 0.423800 37.304886 29.414812 11.990099 # 2 HOH +6040 2014 1 -0.847600 41.027233 39.886883 20.071228 # 1 HOH +6041 2014 2 0.423800 41.832294 39.854916 20.716454 # 2 HOH +6042 2014 2 0.423800 40.272202 39.197323 20.277109 # 2 HOH +6043 2015 1 -0.847600 32.639652 42.488247 14.615142 # 1 HOH +6044 2015 2 0.423800 32.362720 43.430508 14.347784 # 2 HOH +6045 2015 2 0.423800 32.344608 41.844109 13.820105 # 2 HOH +6046 2016 1 -0.847600 30.939121 13.212497 12.796041 # 1 HOH +6047 2016 2 0.423800 30.997288 12.212094 13.040352 # 2 HOH +6048 2016 2 0.423800 30.793644 13.689994 13.705726 # 2 HOH +6049 2017 1 -0.847600 32.474163 5.599278 36.523533 # 1 HOH +6050 2017 2 0.423800 31.821497 6.245852 36.076801 # 2 HOH +6051 2017 2 0.423800 32.716045 6.123614 37.399513 # 2 HOH +6052 2018 1 -0.847600 5.226060 32.733772 4.786200 # 1 HOH +6053 2018 2 0.423800 4.278425 32.749916 4.478371 # 2 HOH +6054 2018 2 0.423800 5.727776 33.215027 4.037313 # 2 HOH +6055 2019 1 -0.847600 40.707745 34.143604 24.210880 # 1 HOH +6056 2019 2 0.423800 41.196175 33.689018 25.073103 # 2 HOH +6057 2019 2 0.423800 40.785873 35.144386 24.258343 # 2 HOH +6058 2020 1 -0.847600 43.084850 10.582759 2.344306 # 1 HOH +6059 2020 2 0.423800 42.539204 11.390109 2.142303 # 2 HOH +6060 2020 2 0.423800 44.073879 10.913026 2.329530 # 2 HOH +6061 2021 1 -0.847600 21.562357 11.712899 15.436537 # 1 HOH +6062 2021 2 0.423800 22.548878 11.701978 15.624148 # 2 HOH +6063 2021 2 0.423800 20.946651 11.734181 16.265608 # 2 HOH +6064 2022 1 -0.847600 6.587756 39.358238 27.653866 # 1 HOH +6065 2022 2 0.423800 7.164052 39.444984 26.825150 # 2 HOH +6066 2022 2 0.423800 7.232449 38.820595 28.270332 # 2 HOH +6067 2023 1 -0.847600 9.567444 21.232712 9.950594 # 1 HOH +6068 2023 2 0.423800 9.059497 21.397055 10.736079 # 2 HOH +6069 2023 2 0.423800 10.569772 21.332155 10.146566 # 2 HOH +6070 2024 1 -0.847600 10.713373 2.999505 22.859015 # 1 HOH +6071 2024 2 0.423800 10.769732 2.521245 22.020872 # 2 HOH +6072 2024 2 0.423800 9.771792 3.061550 22.988501 # 2 HOH +6073 2025 1 -0.847600 3.337360 21.960312 2.856817 # 1 HOH +6074 2025 2 0.423800 2.571183 22.515121 3.271476 # 2 HOH +6075 2025 2 0.423800 2.760873 21.282393 2.304267 # 2 HOH +6076 2026 1 -0.847600 33.417175 28.551195 40.486382 # 1 HOH +6077 2026 2 0.423800 33.440159 27.632719 40.755089 # 2 HOH +6078 2026 2 0.423800 34.368614 28.525614 40.128838 # 2 HOH +6079 2027 1 -0.847600 18.717857 40.631767 10.784962 # 1 HOH +6080 2027 2 0.423800 19.497953 40.289524 10.295192 # 2 HOH +6081 2027 2 0.423800 18.719044 40.017487 11.607934 # 2 HOH +6082 2028 1 -0.847600 8.184923 38.794434 5.409349 # 1 HOH +6083 2028 2 0.423800 8.007151 39.689392 4.931564 # 2 HOH +6084 2028 2 0.423800 9.240883 38.622494 5.442937 # 2 HOH +6085 2029 1 -0.847600 5.662082 16.034786 19.302792 # 1 HOH +6086 2029 2 0.423800 6.224205 15.222594 19.422142 # 2 HOH +6087 2029 2 0.423800 5.595264 16.470325 20.252079 # 2 HOH +6088 2030 1 -0.847600 33.141796 22.972692 0.852746 # 1 HOH +6089 2030 2 0.423800 32.515808 22.337854 1.259887 # 2 HOH +6090 2030 2 0.423800 33.565712 23.373592 1.601766 # 2 HOH +6091 2031 1 -0.847600 40.561291 38.925232 14.532965 # 1 HOH +6092 2031 2 0.423800 41.212631 38.164516 14.693103 # 2 HOH +6093 2031 2 0.423800 40.005276 38.981636 15.240461 # 2 HOH +6094 2032 1 -0.847600 39.356937 2.810017 34.388565 # 1 HOH +6095 2032 2 0.423800 38.430950 3.199286 34.360268 # 2 HOH +6096 2032 2 0.423800 39.313850 2.132689 33.743027 # 2 HOH +6097 2033 1 -0.847600 25.678474 41.900974 21.118252 # 1 HOH +6098 2033 2 0.423800 25.059898 41.067932 21.141926 # 2 HOH +6099 2033 2 0.423800 25.671085 42.197926 22.033930 # 2 HOH +6100 2034 1 -0.847600 23.063322 26.203485 33.425621 # 1 HOH +6101 2034 2 0.423800 23.855133 26.740835 33.185936 # 2 HOH +6102 2034 2 0.423800 23.121971 25.887386 34.465221 # 2 HOH +6103 2035 1 -0.847600 3.959658 8.974627 26.570168 # 1 HOH +6104 2035 2 0.423800 3.341465 9.703726 26.595432 # 2 HOH +6105 2035 2 0.423800 3.350961 8.143081 26.635658 # 2 HOH +6106 2036 1 -0.847600 12.358644 39.970974 38.506195 # 1 HOH +6107 2036 2 0.423800 12.476880 39.562466 39.335434 # 2 HOH +6108 2036 2 0.423800 13.236598 40.034637 38.191822 # 2 HOH +6109 2037 1 -0.847600 41.627285 39.019466 30.201517 # 1 HOH +6110 2037 2 0.423800 41.734104 39.152489 29.150928 # 2 HOH +6111 2037 2 0.423800 42.485165 39.320553 30.618362 # 2 HOH +6112 2038 1 -0.847600 17.119642 24.314341 17.853176 # 1 HOH +6113 2038 2 0.423800 17.556988 23.699699 18.423779 # 2 HOH +6114 2038 2 0.423800 16.247562 24.442806 18.260178 # 2 HOH +6115 2039 1 -0.847600 10.370165 33.727352 30.210121 # 1 HOH +6116 2039 2 0.423800 9.564313 33.747810 29.764805 # 2 HOH +6117 2039 2 0.423800 11.167190 33.835766 29.603556 # 2 HOH +6118 2040 1 -0.847600 23.750813 41.563927 14.500301 # 1 HOH +6119 2040 2 0.423800 23.716917 41.377228 15.449282 # 2 HOH +6120 2040 2 0.423800 23.024164 40.959072 14.106003 # 2 HOH +6121 2041 1 -0.847600 32.512405 9.769175 3.099425 # 1 HOH +6122 2041 2 0.423800 31.910637 10.296955 2.580254 # 2 HOH +6123 2041 2 0.423800 32.491318 10.123213 4.016907 # 2 HOH +6124 2042 1 -0.847600 0.906594 11.211767 35.780170 # 1 HOH +6125 2042 2 0.423800 0.995603 12.206430 36.050804 # 2 HOH +6126 2042 2 0.423800 1.595108 10.626413 36.247116 # 2 HOH +6127 2043 1 -0.847600 2.242524 39.160961 35.780472 # 1 HOH +6128 2043 2 0.423800 2.886221 38.363880 35.550636 # 2 HOH +6129 2043 2 0.423800 1.962904 38.879150 36.614014 # 2 HOH +6130 2044 1 -0.847600 20.767900 1.254271 40.726673 # 1 HOH +6131 2044 2 0.423800 19.866283 1.023328 41.160248 # 2 HOH +6132 2044 2 0.423800 20.547487 1.486618 39.750408 # 2 HOH +6133 2045 1 -0.847600 16.676722 18.007406 23.019491 # 1 HOH +6134 2045 2 0.423800 17.614563 17.615738 23.289070 # 2 HOH +6135 2045 2 0.423800 16.094179 17.965931 23.852901 # 2 HOH +6136 2046 1 -0.847600 13.605960 23.392906 42.505043 # 1 HOH +6137 2046 2 0.423800 12.890431 22.685223 42.145741 # 2 HOH +6138 2046 2 0.423800 13.123397 23.944382 43.198994 # 2 HOH +6139 2047 1 -0.847600 7.177153 10.852082 38.833344 # 1 HOH +6140 2047 2 0.423800 7.300262 9.834333 38.882519 # 2 HOH +6141 2047 2 0.423800 6.293318 11.054376 39.096405 # 2 HOH +6142 2048 1 -0.847600 31.269892 2.150293 17.149115 # 1 HOH +6143 2048 2 0.423800 31.768034 1.330673 17.353882 # 2 HOH +6144 2048 2 0.423800 30.739141 1.880919 16.424337 # 2 HOH +6145 2049 1 -0.847600 41.005108 27.893831 29.624836 # 1 HOH +6146 2049 2 0.423800 40.295151 27.844612 30.367401 # 2 HOH +6147 2049 2 0.423800 40.564007 27.970089 28.673637 # 2 HOH +6148 2050 1 -0.847600 19.850649 19.873432 37.456188 # 1 HOH +6149 2050 2 0.423800 19.867874 20.006201 36.466423 # 2 HOH +6150 2050 2 0.423800 19.238871 20.631105 37.839687 # 2 HOH +6151 2051 1 -0.847600 11.862815 30.528728 10.295567 # 1 HOH +6152 2051 2 0.423800 11.293804 30.185614 9.561248 # 2 HOH +6153 2051 2 0.423800 12.727167 30.009064 10.265826 # 2 HOH +6154 2052 1 -0.847600 21.744507 19.592501 1.337195 # 1 HOH +6155 2052 2 0.423800 22.048498 18.842230 0.660851 # 2 HOH +6156 2052 2 0.423800 22.419577 20.397478 1.103047 # 2 HOH +6157 2053 1 -0.847600 10.352012 27.901691 3.208709 # 1 HOH +6158 2053 2 0.423800 10.402494 28.297050 4.137772 # 2 HOH +6159 2053 2 0.423800 9.641473 27.138172 3.246567 # 2 HOH +6160 2054 1 -0.847600 17.849325 6.884845 20.837753 # 1 HOH +6161 2054 2 0.423800 17.465443 6.989867 19.882277 # 2 HOH +6162 2054 2 0.423800 18.228113 7.781439 21.041050 # 2 HOH +6163 2055 1 -0.847600 13.869293 7.847710 35.095234 # 1 HOH +6164 2055 2 0.423800 14.004861 8.404950 35.995850 # 2 HOH +6165 2055 2 0.423800 13.536736 8.474218 34.455490 # 2 HOH +6166 2056 1 -0.847600 12.965877 8.254682 14.340141 # 1 HOH +6167 2056 2 0.423800 12.547737 7.358842 14.352638 # 2 HOH +6168 2056 2 0.423800 13.628659 8.186344 13.566194 # 2 HOH +6169 2057 1 -0.847600 13.990775 10.122948 36.963612 # 1 HOH +6170 2057 2 0.423800 13.760266 10.965198 36.370937 # 2 HOH +6171 2057 2 0.423800 14.495136 10.393879 37.792877 # 2 HOH +6172 2058 1 -0.847600 38.328327 32.869347 32.866978 # 1 HOH +6173 2058 2 0.423800 38.844482 32.348171 32.178558 # 2 HOH +6174 2058 2 0.423800 37.593693 33.275822 32.400551 # 2 HOH +6175 2059 1 -0.847600 2.190833 13.698303 8.558323 # 1 HOH +6176 2059 2 0.423800 1.657619 13.355928 7.823287 # 2 HOH +6177 2059 2 0.423800 1.473927 14.369309 8.922342 # 2 HOH +6178 2060 1 -0.847600 0.899181 0.410209 37.031639 # 1 HOH +6179 2060 2 0.423800 0.031812 0.257319 37.518082 # 2 HOH +6180 2060 2 0.423800 0.717249 0.070889 36.015476 # 2 HOH +6181 2061 1 -0.847600 36.705414 26.297831 21.961699 # 1 HOH +6182 2061 2 0.423800 36.681686 26.582575 20.956356 # 2 HOH +6183 2061 2 0.423800 35.797016 26.236488 22.198843 # 2 HOH +6184 2062 1 -0.847600 10.165656 30.799425 12.497190 # 1 HOH +6185 2062 2 0.423800 10.771640 30.407219 11.740561 # 2 HOH +6186 2062 2 0.423800 10.664545 30.541132 13.322193 # 2 HOH +6187 2063 1 -0.847600 20.571869 31.462059 34.925751 # 1 HOH +6188 2063 2 0.423800 20.277241 31.038818 35.807144 # 2 HOH +6189 2063 2 0.423800 20.345497 32.369568 34.991848 # 2 HOH +6190 2064 1 -0.847600 41.801579 35.051941 9.894622 # 1 HOH +6191 2064 2 0.423800 42.340321 35.868156 10.015749 # 2 HOH +6192 2064 2 0.423800 42.091755 34.650768 9.084501 # 2 HOH +6193 2065 1 -0.847600 20.936119 33.718029 6.136068 # 1 HOH +6194 2065 2 0.423800 20.708509 32.790085 5.947122 # 2 HOH +6195 2065 2 0.423800 20.644575 33.883415 7.014108 # 2 HOH +6196 2066 1 -0.847600 19.950945 1.387097 15.383157 # 1 HOH +6197 2066 2 0.423800 20.073872 2.451728 15.427673 # 2 HOH +6198 2066 2 0.423800 20.244612 0.998194 14.528207 # 2 HOH +6199 2067 1 -0.847600 8.208595 23.603441 18.350336 # 1 HOH +6200 2067 2 0.423800 7.803840 24.411425 18.733152 # 2 HOH +6201 2067 2 0.423800 8.690104 23.909489 17.592964 # 2 HOH +6202 2068 1 -0.847600 26.570585 9.652939 35.132751 # 1 HOH +6203 2068 2 0.423800 25.897663 9.424151 35.802101 # 2 HOH +6204 2068 2 0.423800 26.830170 8.809076 34.929695 # 2 HOH +6205 2069 1 -0.847600 42.418919 23.960754 13.433468 # 1 HOH +6206 2069 2 0.423800 43.307156 24.480122 13.719612 # 2 HOH +6207 2069 2 0.423800 41.770435 24.508530 13.904757 # 2 HOH +6208 2070 1 -0.847600 40.258148 36.556843 4.759545 # 1 HOH +6209 2070 2 0.423800 40.566204 36.753242 5.738997 # 2 HOH +6210 2070 2 0.423800 40.489956 37.362896 4.122403 # 2 HOH +6211 2071 1 -0.847600 31.250931 37.733757 15.947518 # 1 HOH +6212 2071 2 0.423800 31.301250 38.411053 16.683329 # 2 HOH +6213 2071 2 0.423800 30.255100 37.355846 15.970654 # 2 HOH +6214 2072 1 -0.847600 18.125629 20.731564 16.071718 # 1 HOH +6215 2072 2 0.423800 18.806385 21.420683 15.950020 # 2 HOH +6216 2072 2 0.423800 18.074537 20.349554 15.184568 # 2 HOH +6217 2073 1 -0.847600 23.164743 18.268459 9.796659 # 1 HOH +6218 2073 2 0.423800 23.053427 17.813570 8.808409 # 2 HOH +6219 2073 2 0.423800 22.597752 18.914434 9.840049 # 2 HOH +6220 2074 1 -0.847600 32.915539 38.667213 13.651916 # 1 HOH +6221 2074 2 0.423800 33.189121 37.833908 13.417249 # 2 HOH +6222 2074 2 0.423800 32.289680 38.319965 14.381645 # 2 HOH +6223 2075 1 -0.847600 20.531118 27.536884 1.546880 # 1 HOH +6224 2075 2 0.423800 20.525560 26.504372 1.574280 # 2 HOH +6225 2075 2 0.423800 19.631855 27.850500 1.836647 # 2 HOH +6226 2076 1 -0.847600 32.154186 37.944443 8.017112 # 1 HOH +6227 2076 2 0.423800 32.982738 37.263622 8.190005 # 2 HOH +6228 2076 2 0.423800 32.363525 38.853504 8.407386 # 2 HOH +6229 2077 1 -0.847600 6.546329 20.074400 1.863675 # 1 HOH +6230 2077 2 0.423800 5.612532 19.671890 2.061436 # 2 HOH +6231 2077 2 0.423800 6.356058 20.725517 1.029132 # 2 HOH +6232 2078 1 -0.847600 6.571071 33.285500 21.859451 # 1 HOH +6233 2078 2 0.423800 5.836103 33.990273 21.827930 # 2 HOH +6234 2078 2 0.423800 6.752220 33.084690 22.805325 # 2 HOH +6235 2079 1 -0.847600 1.101531 24.529987 8.499858 # 1 HOH +6236 2079 2 0.423800 1.786371 24.527597 7.685086 # 2 HOH +6237 2079 2 0.423800 1.715773 24.660168 9.277903 # 2 HOH +6238 2080 1 -0.847600 3.746854 26.087532 4.585602 # 1 HOH +6239 2080 2 0.423800 3.002671 26.554829 4.973104 # 2 HOH +6240 2080 2 0.423800 3.739569 26.105770 3.590599 # 2 HOH +6241 2081 1 -0.847600 41.137161 1.020253 24.388546 # 1 HOH +6242 2081 2 0.423800 42.255096 0.979733 24.540972 # 2 HOH +6243 2081 2 0.423800 40.933487 0.263138 25.115189 # 2 HOH +6244 2082 1 -0.847600 20.532606 22.215014 26.204475 # 1 HOH +6245 2082 2 0.423800 20.453674 23.190332 26.162970 # 2 HOH +6246 2082 2 0.423800 20.317442 21.737621 25.359365 # 2 HOH +6247 2083 1 -0.847600 10.493655 19.231411 41.818645 # 1 HOH +6248 2083 2 0.423800 10.999244 18.393419 42.225182 # 2 HOH +6249 2083 2 0.423800 9.513186 18.890314 42.149227 # 2 HOH +6250 2084 1 -0.847600 6.657148 4.504487 20.095659 # 1 HOH +6251 2084 2 0.423800 7.014390 4.616158 20.994732 # 2 HOH +6252 2084 2 0.423800 5.911021 3.832064 20.344393 # 2 HOH +6253 2085 1 -0.847600 6.649803 19.677061 21.475342 # 1 HOH +6254 2085 2 0.423800 6.127818 18.844009 21.600042 # 2 HOH +6255 2085 2 0.423800 6.348593 20.049879 20.565464 # 2 HOH +6256 2086 1 -0.847600 29.875154 38.133560 13.323421 # 1 HOH +6257 2086 2 0.423800 29.979805 38.351082 12.397351 # 2 HOH +6258 2086 2 0.423800 30.137585 37.205009 13.345633 # 2 HOH +6259 2087 1 -0.847600 6.335699 22.448528 12.941374 # 1 HOH +6260 2087 2 0.423800 6.422194 23.191013 12.275434 # 2 HOH +6261 2087 2 0.423800 5.367825 22.249966 12.879742 # 2 HOH +6262 2088 1 -0.847600 28.515928 15.703310 26.983528 # 1 HOH +6263 2088 2 0.423800 28.789381 16.410593 26.263365 # 2 HOH +6264 2088 2 0.423800 27.573498 15.310124 26.649197 # 2 HOH +6265 2089 1 -0.847600 30.303413 42.253651 29.218357 # 1 HOH +6266 2089 2 0.423800 30.258202 41.293293 29.467733 # 2 HOH +6267 2089 2 0.423800 29.417259 42.388905 28.693396 # 2 HOH +6268 2090 1 -0.847600 37.356602 39.855522 30.294968 # 1 HOH +6269 2090 2 0.423800 37.785450 39.610954 29.503551 # 2 HOH +6270 2090 2 0.423800 38.117428 40.170589 30.816910 # 2 HOH +6271 2091 1 -0.847600 5.804388 34.068798 34.560558 # 1 HOH +6272 2091 2 0.423800 5.968120 34.946083 35.066357 # 2 HOH +6273 2091 2 0.423800 4.895907 33.952972 34.460999 # 2 HOH +6274 2092 1 -0.847600 33.047054 31.130880 8.433218 # 1 HOH +6275 2092 2 0.423800 32.415737 31.726587 8.114884 # 2 HOH +6276 2092 2 0.423800 32.753223 30.797930 9.361824 # 2 HOH +6277 2093 1 -0.847600 27.442879 20.726379 38.394070 # 1 HOH +6278 2093 2 0.423800 28.303530 20.591711 38.005981 # 2 HOH +6279 2093 2 0.423800 26.804014 20.142414 37.859577 # 2 HOH +6280 2094 1 -0.847600 6.052152 17.130476 41.402256 # 1 HOH +6281 2094 2 0.423800 5.619588 16.441727 41.925259 # 2 HOH +6282 2094 2 0.423800 6.674319 16.722673 40.703041 # 2 HOH +6283 2095 1 -0.847600 40.324444 28.340307 40.336750 # 1 HOH +6284 2095 2 0.423800 39.792709 29.130312 40.716957 # 2 HOH +6285 2095 2 0.423800 39.936295 28.135435 39.450932 # 2 HOH +6286 2096 1 -0.847600 25.567791 11.081912 5.369710 # 1 HOH +6287 2096 2 0.423800 26.343159 11.170324 4.718699 # 2 HOH +6288 2096 2 0.423800 25.555716 11.964609 5.775210 # 2 HOH +6289 2097 1 -0.847600 24.147167 25.151024 40.239223 # 1 HOH +6290 2097 2 0.423800 24.682241 24.805939 39.506527 # 2 HOH +6291 2097 2 0.423800 23.888460 24.293451 40.726570 # 2 HOH +6292 2098 1 -0.847600 41.918472 28.458225 2.363297 # 1 HOH +6293 2098 2 0.423800 42.205978 28.774242 1.576706 # 2 HOH +6294 2098 2 0.423800 42.481953 29.078266 3.067335 # 2 HOH +6295 2099 1 -0.847600 5.117263 26.946257 30.501839 # 1 HOH +6296 2099 2 0.423800 4.439169 26.944761 29.733435 # 2 HOH +6297 2099 2 0.423800 5.121988 25.973827 30.875530 # 2 HOH +6298 2100 1 -0.847600 23.527996 35.979923 27.630365 # 1 HOH +6299 2100 2 0.423800 23.554926 36.331978 26.675692 # 2 HOH +6300 2100 2 0.423800 23.437410 36.762737 28.326221 # 2 HOH +6301 2101 1 -0.847600 10.146010 34.316334 0.848891 # 1 HOH +6302 2101 2 0.423800 9.509756 33.566715 0.641837 # 2 HOH +6303 2101 2 0.423800 10.135437 34.934837 0.051020 # 2 HOH +6304 2102 1 -0.847600 37.044685 21.958414 6.289485 # 1 HOH +6305 2102 2 0.423800 37.187275 22.812441 5.808521 # 2 HOH +6306 2102 2 0.423800 36.410046 21.354849 5.703074 # 2 HOH +6307 2103 1 -0.847600 15.615244 7.599680 2.013820 # 1 HOH +6308 2103 2 0.423800 15.324427 8.612335 1.699060 # 2 HOH +6309 2103 2 0.423800 14.853259 7.364129 2.657543 # 2 HOH +6310 2104 1 -0.847600 5.649086 44.643986 6.417054 # 1 HOH +6311 2104 2 0.423800 5.902245 44.779064 5.348373 # 2 HOH +6312 2104 2 0.423800 6.077940 43.819008 6.671313 # 2 HOH +6313 2105 1 -0.847600 41.652588 14.038171 23.073801 # 1 HOH +6314 2105 2 0.423800 42.515373 13.750577 23.327112 # 2 HOH +6315 2105 2 0.423800 41.024700 13.316854 23.436953 # 2 HOH +6316 2106 1 -0.847600 33.432140 14.463585 23.130106 # 1 HOH +6317 2106 2 0.423800 34.086342 15.209826 23.423147 # 2 HOH +6318 2106 2 0.423800 34.129421 13.717646 22.868193 # 2 HOH +6319 2107 1 -0.847600 33.982697 1.237103 33.590111 # 1 HOH +6320 2107 2 0.423800 33.982948 2.084970 33.176765 # 2 HOH +6321 2107 2 0.423800 34.873791 0.795853 33.522732 # 2 HOH +6322 2108 1 -0.847600 22.650522 27.288671 39.238075 # 1 HOH +6323 2108 2 0.423800 23.362284 28.042170 39.271725 # 2 HOH +6324 2108 2 0.423800 23.265896 26.489136 39.409924 # 2 HOH +6325 2109 1 -0.847600 7.101242 13.705248 19.187145 # 1 HOH +6326 2109 2 0.423800 6.482368 13.156256 18.715952 # 2 HOH +6327 2109 2 0.423800 7.878167 13.046273 19.313255 # 2 HOH +6328 2110 1 -0.847600 3.207146 26.515652 1.852016 # 1 HOH +6329 2110 2 0.423800 2.999035 25.825670 1.154498 # 2 HOH +6330 2110 2 0.423800 2.441082 27.032988 1.789420 # 2 HOH +6331 2111 1 -0.847600 4.658480 23.467621 37.866398 # 1 HOH +6332 2111 2 0.423800 4.068037 23.587364 37.049374 # 2 HOH +6333 2111 2 0.423800 3.943808 23.145098 38.518276 # 2 HOH +6334 2112 1 -0.847600 16.432928 27.794027 38.586025 # 1 HOH +6335 2112 2 0.423800 16.882019 26.921190 38.520012 # 2 HOH +6336 2112 2 0.423800 15.670232 27.784313 37.802780 # 2 HOH +6337 2113 1 -0.847600 35.793060 3.841380 31.832394 # 1 HOH +6338 2113 2 0.423800 36.475956 4.035649 31.155939 # 2 HOH +6339 2113 2 0.423800 35.040649 3.772289 31.274267 # 2 HOH +6340 2114 1 -0.847600 29.259464 31.160465 8.707485 # 1 HOH +6341 2114 2 0.423800 29.263489 30.272526 9.300627 # 2 HOH +6342 2114 2 0.423800 28.690622 31.843342 9.170820 # 2 HOH +6343 2115 1 -0.847600 34.978394 37.104515 26.896166 # 1 HOH +6344 2115 2 0.423800 34.174114 37.439869 26.471376 # 2 HOH +6345 2115 2 0.423800 34.911972 36.162148 26.761419 # 2 HOH +6346 2116 1 -0.847600 28.726543 16.666510 33.778500 # 1 HOH +6347 2116 2 0.423800 27.877462 16.756655 34.316959 # 2 HOH +6348 2116 2 0.423800 28.369884 16.245777 32.902473 # 2 HOH +6349 2117 1 -0.847600 43.033955 1.212404 27.616610 # 1 HOH +6350 2117 2 0.423800 42.625637 2.129748 27.755194 # 2 HOH +6351 2117 2 0.423800 42.354328 0.485110 27.772089 # 2 HOH +6352 2118 1 -0.847600 38.250454 1.758720 11.655149 # 1 HOH +6353 2118 2 0.423800 38.510941 2.069676 10.691477 # 2 HOH +6354 2118 2 0.423800 38.033154 0.815772 11.549849 # 2 HOH +6355 2119 1 -0.847600 43.262836 43.503422 20.916946 # 1 HOH +6356 2119 2 0.423800 42.260128 43.459766 20.545099 # 2 HOH +6357 2119 2 0.423800 43.447342 44.457798 20.896233 # 2 HOH +6358 2120 1 -0.847600 33.595516 35.744808 24.165619 # 1 HOH +6359 2120 2 0.423800 33.439133 34.800838 24.525265 # 2 HOH +6360 2120 2 0.423800 32.966930 36.262833 24.711073 # 2 HOH +6361 2121 1 -0.847600 14.048903 18.571842 6.838006 # 1 HOH +6362 2121 2 0.423800 13.435038 18.281757 6.057038 # 2 HOH +6363 2121 2 0.423800 13.516771 19.234097 7.424585 # 2 HOH +6364 2122 1 -0.847600 16.312368 26.866182 29.477749 # 1 HOH +6365 2122 2 0.423800 17.214142 26.818243 29.975103 # 2 HOH +6366 2122 2 0.423800 16.507339 26.374582 28.581928 # 2 HOH +6367 2123 1 -0.847600 22.906721 27.274387 20.304214 # 1 HOH +6368 2123 2 0.423800 22.437683 27.734392 21.054010 # 2 HOH +6369 2123 2 0.423800 22.609676 27.963110 19.547571 # 2 HOH +6370 2124 1 -0.847600 42.681137 19.769930 3.801022 # 1 HOH +6371 2124 2 0.423800 42.365429 18.886225 3.647395 # 2 HOH +6372 2124 2 0.423800 41.841022 20.245821 3.780818 # 2 HOH +6373 2125 1 -0.847600 43.346012 40.676601 21.744997 # 1 HOH +6374 2125 2 0.423800 44.288994 40.893181 21.763990 # 2 HOH +6375 2125 2 0.423800 42.985699 41.613640 21.775841 # 2 HOH +6376 2126 1 -0.847600 38.251026 37.795555 10.826736 # 1 HOH +6377 2126 2 0.423800 37.335400 38.067558 10.917942 # 2 HOH +6378 2126 2 0.423800 38.737751 38.472160 11.328099 # 2 HOH +6379 2127 1 -0.847600 32.376110 28.625908 36.469734 # 1 HOH +6380 2127 2 0.423800 32.263615 29.246212 35.611755 # 2 HOH +6381 2127 2 0.423800 33.346581 28.697634 36.673611 # 2 HOH +6382 2128 1 -0.847600 33.029778 3.413568 27.231657 # 1 HOH +6383 2128 2 0.423800 32.517876 2.719424 26.736010 # 2 HOH +6384 2128 2 0.423800 33.052128 3.994105 26.408367 # 2 HOH +6385 2129 1 -0.847600 34.906765 8.963638 2.134061 # 1 HOH +6386 2129 2 0.423800 35.481655 8.537421 2.922736 # 2 HOH +6387 2129 2 0.423800 33.934113 8.759724 2.355990 # 2 HOH +6388 2130 1 -0.847600 4.169432 11.148895 21.126694 # 1 HOH +6389 2130 2 0.423800 5.001514 10.951258 21.517900 # 2 HOH +6390 2130 2 0.423800 3.787035 10.209535 21.272955 # 2 HOH +6391 2131 1 -0.847600 5.542330 10.970709 32.841351 # 1 HOH +6392 2131 2 0.423800 4.493645 11.051982 33.091129 # 2 HOH +6393 2131 2 0.423800 5.918116 11.809190 32.989433 # 2 HOH +6394 2132 1 -0.847600 16.741474 25.307665 6.452348 # 1 HOH +6395 2132 2 0.423800 16.070429 25.181555 5.788647 # 2 HOH +6396 2132 2 0.423800 17.482214 24.702362 6.210953 # 2 HOH +6397 2133 1 -0.847600 26.359802 32.983028 6.613226 # 1 HOH +6398 2133 2 0.423800 25.515528 33.372570 6.157234 # 2 HOH +6399 2133 2 0.423800 26.143654 31.990011 6.890385 # 2 HOH +6400 2134 1 -0.847600 30.536161 6.949673 14.365090 # 1 HOH +6401 2134 2 0.423800 30.110355 7.716898 13.929232 # 2 HOH +6402 2134 2 0.423800 29.923586 6.273825 14.070749 # 2 HOH +6403 2135 1 -0.847600 4.030571 1.498942 41.278156 # 1 HOH +6404 2135 2 0.423800 3.130252 1.346611 40.907513 # 2 HOH +6405 2135 2 0.423800 4.339848 1.180628 40.467270 # 2 HOH +6406 2136 1 -0.847600 23.667347 28.300150 1.469384 # 1 HOH +6407 2136 2 0.423800 23.908186 27.424524 0.938908 # 2 HOH +6408 2136 2 0.423800 24.525145 28.684801 1.719941 # 2 HOH +6409 2137 1 -0.847600 19.823675 11.771583 13.175606 # 1 HOH +6410 2137 2 0.423800 20.412680 11.858941 13.925628 # 2 HOH +6411 2137 2 0.423800 18.786604 11.824800 13.575230 # 2 HOH +6412 2138 1 -0.847600 32.764484 19.911236 37.403172 # 1 HOH +6413 2138 2 0.423800 33.195965 20.070766 36.538158 # 2 HOH +6414 2138 2 0.423800 33.330292 19.081598 37.755768 # 2 HOH +6415 2139 1 -0.847600 29.718712 27.696684 17.570339 # 1 HOH +6416 2139 2 0.423800 29.116648 28.475643 17.787918 # 2 HOH +6417 2139 2 0.423800 30.625830 28.045698 17.804529 # 2 HOH +6418 2140 1 -0.847600 16.151001 27.379364 3.685901 # 1 HOH +6419 2140 2 0.423800 16.517712 27.471439 4.533147 # 2 HOH +6420 2140 2 0.423800 15.452508 28.147549 3.596325 # 2 HOH +6421 2141 1 -0.847600 11.310883 30.531855 15.057820 # 1 HOH +6422 2141 2 0.423800 10.588371 30.421125 15.687965 # 2 HOH +6423 2141 2 0.423800 12.117098 30.733139 15.525252 # 2 HOH +6424 2142 1 -0.847600 42.673489 18.641705 19.449144 # 1 HOH +6425 2142 2 0.423800 41.890266 17.981857 19.552366 # 2 HOH +6426 2142 2 0.423800 43.509018 18.165092 19.309364 # 2 HOH +6427 2143 1 -0.847600 16.056152 32.073090 34.539146 # 1 HOH +6428 2143 2 0.423800 16.770048 31.291924 34.538658 # 2 HOH +6429 2143 2 0.423800 15.116984 31.601484 34.285400 # 2 HOH +6430 2144 1 -0.847600 19.179058 30.517727 27.547503 # 1 HOH +6431 2144 2 0.423800 19.163185 29.865988 26.768578 # 2 HOH +6432 2144 2 0.423800 18.596975 30.129536 28.265949 # 2 HOH +6433 2145 1 -0.847600 2.398921 25.469233 41.442284 # 1 HOH +6434 2145 2 0.423800 1.912493 24.973429 42.102894 # 2 HOH +6435 2145 2 0.423800 3.251087 25.049555 41.572945 # 2 HOH +6436 2146 1 -0.847600 19.997328 34.760845 25.889568 # 1 HOH +6437 2146 2 0.423800 19.860378 35.377094 26.662649 # 2 HOH +6438 2146 2 0.423800 20.908276 34.555096 25.898067 # 2 HOH +6439 2147 1 -0.847600 14.886116 40.423813 36.897522 # 1 HOH +6440 2147 2 0.423800 15.870650 40.258968 36.631626 # 2 HOH +6441 2147 2 0.423800 15.064047 41.452156 37.173134 # 2 HOH +6442 2148 1 -0.847600 37.313915 29.663654 28.125387 # 1 HOH +6443 2148 2 0.423800 37.636295 28.961102 27.586605 # 2 HOH +6444 2148 2 0.423800 37.737171 30.353090 27.639584 # 2 HOH +6445 2149 1 -0.847600 20.578207 38.484051 31.044027 # 1 HOH +6446 2149 2 0.423800 19.696976 39.029827 31.093781 # 2 HOH +6447 2149 2 0.423800 21.042988 38.569866 31.904867 # 2 HOH +6448 2150 1 -0.847600 12.047888 26.547689 7.157788 # 1 HOH +6449 2150 2 0.423800 12.725481 26.881994 6.514938 # 2 HOH +6450 2150 2 0.423800 11.693105 25.709513 6.603027 # 2 HOH +6451 2151 1 -0.847600 43.016602 4.669866 20.332695 # 1 HOH +6452 2151 2 0.423800 43.349205 5.462421 19.998774 # 2 HOH +6453 2151 2 0.423800 42.488564 4.405114 19.558830 # 2 HOH +6454 2152 1 -0.847600 34.904133 40.752327 20.478231 # 1 HOH +6455 2152 2 0.423800 33.892910 40.863930 20.391022 # 2 HOH +6456 2152 2 0.423800 34.986710 40.672100 21.512688 # 2 HOH +6457 2153 1 -0.847600 21.027235 20.726751 15.148901 # 1 HOH +6458 2153 2 0.423800 20.445370 19.972645 14.888334 # 2 HOH +6459 2153 2 0.423800 20.782261 21.364752 14.360435 # 2 HOH +6460 2154 1 -0.847600 8.180285 5.333221 23.031418 # 1 HOH +6461 2154 2 0.423800 8.160139 5.967113 23.776606 # 2 HOH +6462 2154 2 0.423800 7.846597 4.442769 23.431164 # 2 HOH +6463 2155 1 -0.847600 4.522951 2.605205 19.568428 # 1 HOH +6464 2155 2 0.423800 3.853842 1.876904 19.424114 # 2 HOH +6465 2155 2 0.423800 4.258650 3.449143 18.983498 # 2 HOH +6466 2156 1 -0.847600 24.817909 37.877140 3.106469 # 1 HOH +6467 2156 2 0.423800 24.542341 37.158932 2.578650 # 2 HOH +6468 2156 2 0.423800 25.354052 37.285210 3.827633 # 2 HOH +6469 2157 1 -0.847600 20.275764 2.451339 23.176672 # 1 HOH +6470 2157 2 0.423800 19.842512 3.278940 22.920023 # 2 HOH +6471 2157 2 0.423800 19.989590 2.357539 24.175579 # 2 HOH +6472 2158 1 -0.847600 28.456219 12.874934 34.848564 # 1 HOH +6473 2158 2 0.423800 27.741175 13.063833 35.617012 # 2 HOH +6474 2158 2 0.423800 29.278913 13.174454 35.198498 # 2 HOH +6475 2159 1 -0.847600 2.224487 2.419495 38.971420 # 1 HOH +6476 2159 2 0.423800 2.044416 1.608988 38.492908 # 2 HOH +6477 2159 2 0.423800 1.575256 2.334212 39.728245 # 2 HOH +6478 2160 1 -0.847600 7.013251 31.103199 32.564041 # 1 HOH +6479 2160 2 0.423800 8.034289 30.821163 32.407383 # 2 HOH +6480 2160 2 0.423800 6.459960 30.470671 31.972965 # 2 HOH +6481 2161 1 -0.847600 22.888161 37.400711 7.768871 # 1 HOH +6482 2161 2 0.423800 22.577826 37.654636 6.805703 # 2 HOH +6483 2161 2 0.423800 23.655657 36.889511 7.626400 # 2 HOH +6484 2162 1 -0.847600 11.311545 2.938996 18.313921 # 1 HOH +6485 2162 2 0.423800 10.845845 2.592196 17.486502 # 2 HOH +6486 2162 2 0.423800 10.577789 3.680745 18.540958 # 2 HOH +6487 2163 1 -0.847600 25.079620 12.864074 22.224392 # 1 HOH +6488 2163 2 0.423800 24.308678 13.541641 22.145821 # 2 HOH +6489 2163 2 0.423800 25.578512 12.990294 23.062885 # 2 HOH +6490 2164 1 -0.847600 9.515123 0.803117 34.619335 # 1 HOH +6491 2164 2 0.423800 8.485291 0.739612 34.935951 # 2 HOH +6492 2164 2 0.423800 10.029263 0.176960 35.168526 # 2 HOH +6493 2165 1 -0.847600 30.659693 28.271441 40.700397 # 1 HOH +6494 2165 2 0.423800 31.402981 28.781282 40.488319 # 2 HOH +6495 2165 2 0.423800 30.977518 27.791697 41.565712 # 2 HOH +6496 2166 1 -0.847600 33.492241 11.822389 15.032056 # 1 HOH +6497 2166 2 0.423800 32.762989 11.295269 14.603514 # 2 HOH +6498 2166 2 0.423800 34.201111 11.213871 15.363544 # 2 HOH +6499 2167 1 -0.847600 6.029776 41.510193 18.519770 # 1 HOH +6500 2167 2 0.423800 5.823413 40.543526 18.191227 # 2 HOH +6501 2167 2 0.423800 5.331864 41.672115 19.167311 # 2 HOH +6502 2168 1 -0.847600 37.869282 5.819830 14.041479 # 1 HOH +6503 2168 2 0.423800 38.648575 5.330742 13.553231 # 2 HOH +6504 2168 2 0.423800 37.150173 5.222818 13.793641 # 2 HOH +6505 2169 1 -0.847600 12.327738 7.741570 41.281403 # 1 HOH +6506 2169 2 0.423800 12.791196 7.696782 40.446915 # 2 HOH +6507 2169 2 0.423800 12.942904 7.297084 41.817448 # 2 HOH +6508 2170 1 -0.847600 14.500794 20.168207 10.482561 # 1 HOH +6509 2170 2 0.423800 15.626989 20.269283 10.761574 # 2 HOH +6510 2170 2 0.423800 14.484012 19.166664 10.257498 # 2 HOH +6511 2171 1 -0.847600 9.594492 16.593060 13.753572 # 1 HOH +6512 2171 2 0.423800 8.750283 17.031162 13.520677 # 2 HOH +6513 2171 2 0.423800 9.245357 15.634009 13.868130 # 2 HOH +6514 2172 1 -0.847600 2.293097 27.033192 7.499012 # 1 HOH +6515 2172 2 0.423800 1.639811 27.224705 8.229728 # 2 HOH +6516 2172 2 0.423800 3.094025 26.684607 8.074019 # 2 HOH +6517 2173 1 -0.847600 14.266587 42.478416 20.503157 # 1 HOH +6518 2173 2 0.423800 14.705523 42.669075 21.406158 # 2 HOH +6519 2173 2 0.423800 13.293921 42.435303 20.793312 # 2 HOH +6520 2174 1 -0.847600 36.053669 29.528011 23.194227 # 1 HOH +6521 2174 2 0.423800 36.895027 29.700226 22.765570 # 2 HOH +6522 2174 2 0.423800 36.002907 28.564405 23.423262 # 2 HOH +6523 2175 1 -0.847600 16.918001 31.023785 37.406010 # 1 HOH +6524 2175 2 0.423800 16.408073 30.284607 37.844494 # 2 HOH +6525 2175 2 0.423800 16.869219 31.780949 38.094181 # 2 HOH +6526 2176 1 -0.847600 25.284296 28.945038 18.171059 # 1 HOH +6527 2176 2 0.423800 25.153570 29.664362 18.927057 # 2 HOH +6528 2176 2 0.423800 25.657482 28.149160 18.688749 # 2 HOH +6529 2177 1 -0.847600 41.345524 2.491529 12.228963 # 1 HOH +6530 2177 2 0.423800 42.242989 2.029783 12.240106 # 2 HOH +6531 2177 2 0.423800 40.693272 1.759004 12.286577 # 2 HOH +6532 2178 1 -0.847600 20.055643 11.815287 17.814888 # 1 HOH +6533 2178 2 0.423800 19.152266 12.299716 17.570976 # 2 HOH +6534 2178 2 0.423800 20.672447 12.474524 18.357927 # 2 HOH +6535 2179 1 -0.847600 4.057744 19.819920 32.748726 # 1 HOH +6536 2179 2 0.423800 4.014606 20.721245 33.132614 # 2 HOH +6537 2179 2 0.423800 3.468572 19.968805 31.986856 # 2 HOH +6538 2180 1 -0.847600 33.549923 13.051474 11.703841 # 1 HOH +6539 2180 2 0.423800 32.545547 13.155890 11.791876 # 2 HOH +6540 2180 2 0.423800 33.814560 12.431454 12.418631 # 2 HOH +6541 2181 1 -0.847600 31.760048 40.461113 3.617231 # 1 HOH +6542 2181 2 0.423800 30.893223 40.571819 3.224049 # 2 HOH +6543 2181 2 0.423800 31.740719 39.846493 4.375862 # 2 HOH +6544 2182 1 -0.847600 13.827417 21.649258 15.475333 # 1 HOH +6545 2182 2 0.423800 12.953909 21.875694 14.993345 # 2 HOH +6546 2182 2 0.423800 13.730984 20.734858 15.818432 # 2 HOH +6547 2183 1 -0.847600 32.085323 5.658723 16.470491 # 1 HOH +6548 2183 2 0.423800 32.574268 4.747709 16.215746 # 2 HOH +6549 2183 2 0.423800 31.557964 5.946477 15.695175 # 2 HOH +6550 2184 1 -0.847600 24.533730 18.982164 27.989258 # 1 HOH +6551 2184 2 0.423800 24.277838 18.098202 28.283607 # 2 HOH +6552 2184 2 0.423800 25.428488 18.865583 27.575745 # 2 HOH +6553 2185 1 -0.847600 33.116482 24.619490 25.963224 # 1 HOH +6554 2185 2 0.423800 33.460888 23.739056 25.901707 # 2 HOH +6555 2185 2 0.423800 32.164963 24.558134 25.564964 # 2 HOH +6556 2186 1 -0.847600 20.547729 15.652479 36.577736 # 1 HOH +6557 2186 2 0.423800 21.292728 15.535221 35.917664 # 2 HOH +6558 2186 2 0.423800 20.969698 16.148680 37.377701 # 2 HOH +6559 2187 1 -0.847600 29.371742 5.616314 33.302559 # 1 HOH +6560 2187 2 0.423800 29.562881 4.666274 33.411552 # 2 HOH +6561 2187 2 0.423800 28.819744 5.665399 32.421585 # 2 HOH +6562 2188 1 -0.847600 8.612025 24.268270 7.153708 # 1 HOH +6563 2188 2 0.423800 7.805238 24.344933 6.544165 # 2 HOH +6564 2188 2 0.423800 9.069388 23.345749 6.973767 # 2 HOH +6565 2189 1 -0.847600 22.852964 6.726341 42.590202 # 1 HOH +6566 2189 2 0.423800 23.449795 6.414210 41.874397 # 2 HOH +6567 2189 2 0.423800 22.128796 5.987358 42.544567 # 2 HOH +6568 2190 1 -0.847600 6.943767 7.122486 19.388380 # 1 HOH +6569 2190 2 0.423800 6.591108 6.292264 19.776762 # 2 HOH +6570 2190 2 0.423800 7.518624 6.826488 18.589710 # 2 HOH +6571 2191 1 -0.847600 29.496420 33.515041 19.816891 # 1 HOH +6572 2191 2 0.423800 28.626301 33.052483 20.069124 # 2 HOH +6573 2191 2 0.423800 30.124075 32.760891 19.489054 # 2 HOH +6574 2192 1 -0.847600 38.148907 1.315118 39.199272 # 1 HOH +6575 2192 2 0.423800 38.711826 1.333310 38.370224 # 2 HOH +6576 2192 2 0.423800 38.040504 2.398972 39.327217 # 2 HOH +6577 2193 1 -0.847600 17.983086 16.607578 1.569656 # 1 HOH +6578 2193 2 0.423800 18.810202 16.338713 1.101356 # 2 HOH +6579 2193 2 0.423800 17.260635 16.730202 0.857924 # 2 HOH +6580 2194 1 -0.847600 3.191363 44.169697 16.973581 # 1 HOH +6581 2194 2 0.423800 4.094802 44.223122 16.615025 # 2 HOH +6582 2194 2 0.423800 3.258249 44.527279 17.981161 # 2 HOH +6583 2195 1 -0.847600 9.610770 25.705412 37.741074 # 1 HOH +6584 2195 2 0.423800 10.046058 25.329721 36.879795 # 2 HOH +6585 2195 2 0.423800 10.045981 26.559282 37.750759 # 2 HOH +6586 2196 1 -0.847600 1.993334 34.805725 36.087479 # 1 HOH +6587 2196 2 0.423800 1.159426 34.194305 36.075493 # 2 HOH +6588 2196 2 0.423800 1.932809 35.405170 35.318199 # 2 HOH +6589 2197 1 -0.847600 24.695751 11.432887 0.377501 # 1 HOH +6590 2197 2 0.423800 25.334044 10.838187 0.872511 # 2 HOH +6591 2197 2 0.423800 23.845617 10.826881 0.380867 # 2 HOH +6592 2198 1 -0.847600 8.198282 39.233753 25.169228 # 1 HOH +6593 2198 2 0.423800 9.086320 39.522556 25.451124 # 2 HOH +6594 2198 2 0.423800 8.106573 39.301208 24.209612 # 2 HOH +6595 2199 1 -0.847600 15.768873 31.145195 41.919685 # 1 HOH +6596 2199 2 0.423800 16.759941 31.039961 42.293446 # 2 HOH +6597 2199 2 0.423800 15.425850 30.226101 41.719341 # 2 HOH +6598 2200 1 -0.847600 24.931366 32.571789 26.677814 # 1 HOH +6599 2200 2 0.423800 25.304071 32.738205 25.785488 # 2 HOH +6600 2200 2 0.423800 25.354174 31.666265 27.124895 # 2 HOH +6601 2201 1 -0.847600 38.302437 39.465359 3.722394 # 1 HOH +6602 2201 2 0.423800 39.196854 39.103199 3.286950 # 2 HOH +6603 2201 2 0.423800 37.782055 38.697857 3.975039 # 2 HOH +6604 2202 1 -0.847600 5.668289 37.865280 4.421131 # 1 HOH +6605 2202 2 0.423800 6.304954 37.433483 3.840909 # 2 HOH +6606 2202 2 0.423800 6.131810 37.851341 5.286431 # 2 HOH +6607 2203 1 -0.847600 19.669882 25.215740 15.133035 # 1 HOH +6608 2203 2 0.423800 20.067324 25.981695 15.555624 # 2 HOH +6609 2203 2 0.423800 19.743368 24.292835 15.752419 # 2 HOH +6610 2204 1 -0.847600 21.120031 -0.251295 4.585265 # 1 HOH +6611 2204 2 0.423800 20.771757 0.685599 4.602351 # 2 HOH +6612 2204 2 0.423800 21.090816 -0.584522 5.559210 # 2 HOH +6613 2205 1 -0.847600 22.854506 11.942588 5.795707 # 1 HOH +6614 2205 2 0.423800 23.264313 12.804040 6.058342 # 2 HOH +6615 2205 2 0.423800 23.557957 11.355641 5.497697 # 2 HOH +6616 2206 1 -0.847600 23.258949 22.048515 21.396700 # 1 HOH +6617 2206 2 0.423800 23.592930 21.218470 20.784863 # 2 HOH +6618 2206 2 0.423800 23.702311 21.863064 22.310705 # 2 HOH +6619 2207 1 -0.847600 19.083742 5.142036 27.195532 # 1 HOH +6620 2207 2 0.423800 18.759550 5.989132 27.573660 # 2 HOH +6621 2207 2 0.423800 18.696400 5.103841 26.342699 # 2 HOH +6622 2208 1 -0.847600 1.622685 7.424565 26.448042 # 1 HOH +6623 2208 2 0.423800 1.117027 7.926240 27.112617 # 2 HOH +6624 2208 2 0.423800 1.143674 6.591162 26.278112 # 2 HOH +6625 2209 1 -0.847600 0.010126 36.220943 22.037668 # 1 HOH +6626 2209 2 0.423800 0.230637 35.199268 22.162746 # 2 HOH +6627 2209 2 0.423800 0.808587 36.463879 21.520470 # 2 HOH +6628 2210 1 -0.847600 34.748653 1.730396 24.893921 # 1 HOH +6629 2210 2 0.423800 34.365147 2.710132 24.898771 # 2 HOH +6630 2210 2 0.423800 34.407917 1.279971 24.183050 # 2 HOH +6631 2211 1 -0.847600 16.678547 41.187428 26.449762 # 1 HOH +6632 2211 2 0.423800 16.208521 41.913979 25.928358 # 2 HOH +6633 2211 2 0.423800 16.002300 40.549767 26.680803 # 2 HOH +6634 2212 1 -0.847600 34.624386 1.321839 12.448652 # 1 HOH +6635 2212 2 0.423800 35.393238 0.827830 12.033936 # 2 HOH +6636 2212 2 0.423800 34.606632 0.865638 13.386630 # 2 HOH +6637 2213 1 -0.847600 38.404922 11.557216 11.187533 # 1 HOH +6638 2213 2 0.423800 38.261082 10.589146 11.562189 # 2 HOH +6639 2213 2 0.423800 39.438416 11.430030 11.007507 # 2 HOH +6640 2214 1 -0.847600 2.394403 36.643051 26.360741 # 1 HOH +6641 2214 2 0.423800 2.369027 36.825504 25.408518 # 2 HOH +6642 2214 2 0.423800 3.316048 36.980862 26.686560 # 2 HOH +6643 2215 1 -0.847600 9.872604 4.798934 30.847879 # 1 HOH +6644 2215 2 0.423800 9.031029 4.831390 30.193562 # 2 HOH +6645 2215 2 0.423800 9.830073 3.861889 31.352001 # 2 HOH +6646 2216 1 -0.847600 29.630566 32.099369 33.962952 # 1 HOH +6647 2216 2 0.423800 30.279055 31.554066 34.402969 # 2 HOH +6648 2216 2 0.423800 28.845047 31.972309 34.483509 # 2 HOH +6649 2217 1 -0.847600 21.965836 30.483433 25.325241 # 1 HOH +6650 2217 2 0.423800 21.016399 30.365124 25.008709 # 2 HOH +6651 2217 2 0.423800 22.582355 30.300138 24.526304 # 2 HOH +6652 2218 1 -0.847600 34.690876 13.470644 27.252857 # 1 HOH +6653 2218 2 0.423800 35.241306 13.464989 26.423269 # 2 HOH +6654 2218 2 0.423800 33.754749 13.351083 26.878239 # 2 HOH +6655 2219 1 -0.847600 17.360855 6.751935 41.912819 # 1 HOH +6656 2219 2 0.423800 17.275969 7.750318 41.741875 # 2 HOH +6657 2219 2 0.423800 18.081902 6.536472 41.341103 # 2 HOH +6658 2220 1 -0.847600 34.833057 22.786003 29.257872 # 1 HOH +6659 2220 2 0.423800 35.075214 22.617489 28.263313 # 2 HOH +6660 2220 2 0.423800 33.845238 22.846804 29.266741 # 2 HOH +6661 2221 1 -0.847600 30.569529 10.841143 8.549597 # 1 HOH +6662 2221 2 0.423800 29.685020 10.843865 8.931650 # 2 HOH +6663 2221 2 0.423800 30.777786 9.871436 8.298271 # 2 HOH +6664 2222 1 -0.847600 2.247336 5.518402 14.908978 # 1 HOH +6665 2222 2 0.423800 2.314391 6.421404 15.398006 # 2 HOH +6666 2222 2 0.423800 1.834487 5.771713 14.035226 # 2 HOH +6667 2223 1 -0.847600 15.743118 16.446661 3.299033 # 1 HOH +6668 2223 2 0.423800 15.480071 16.988052 4.074835 # 2 HOH +6669 2223 2 0.423800 16.620922 16.799877 2.891974 # 2 HOH +6670 2224 1 -0.847600 10.012733 21.680918 7.229747 # 1 HOH +6671 2224 2 0.423800 9.116744 21.432753 6.782856 # 2 HOH +6672 2224 2 0.423800 10.014497 21.563780 8.274577 # 2 HOH +6673 2225 1 -0.847600 17.718657 15.600296 35.692558 # 1 HOH +6674 2225 2 0.423800 17.648228 15.846198 36.707527 # 2 HOH +6675 2225 2 0.423800 18.701571 15.406960 35.382027 # 2 HOH +6676 2226 1 -0.847600 30.430727 1.721456 12.217522 # 1 HOH +6677 2226 2 0.423800 30.382185 2.675190 12.684172 # 2 HOH +6678 2226 2 0.423800 30.257923 1.995402 11.252728 # 2 HOH +6679 2227 1 -0.847600 0.200037 10.030138 39.620670 # 1 HOH +6680 2227 2 0.423800 1.055220 9.417401 39.382454 # 2 HOH +6681 2227 2 0.423800 0.035413 9.828124 40.647442 # 2 HOH +6682 2228 1 -0.847600 7.279678 35.546532 11.392210 # 1 HOH +6683 2228 2 0.423800 7.959894 35.800297 10.639017 # 2 HOH +6684 2228 2 0.423800 6.807590 34.722641 11.147155 # 2 HOH +6685 2229 1 -0.847600 14.956836 38.523609 28.207081 # 1 HOH +6686 2229 2 0.423800 14.370010 38.975086 28.896338 # 2 HOH +6687 2229 2 0.423800 14.788785 39.028328 27.326187 # 2 HOH +6688 2230 1 -0.847600 11.444402 39.869980 32.720032 # 1 HOH +6689 2230 2 0.423800 10.916348 39.126705 33.103874 # 2 HOH +6690 2230 2 0.423800 12.116051 40.055401 33.444328 # 2 HOH +6691 2231 1 -0.847600 40.011791 0.982930 21.880159 # 1 HOH +6692 2231 2 0.423800 39.037365 1.092269 22.210644 # 2 HOH +6693 2231 2 0.423800 40.614296 0.868846 22.682762 # 2 HOH +6694 2232 1 -0.847600 24.704876 12.332536 28.503212 # 1 HOH +6695 2232 2 0.423800 24.890682 12.045205 29.473799 # 2 HOH +6696 2232 2 0.423800 24.403814 11.529216 27.923380 # 2 HOH +6697 2233 1 -0.847600 20.605154 30.731998 5.426688 # 1 HOH +6698 2233 2 0.423800 20.675848 29.765965 5.167059 # 2 HOH +6699 2233 2 0.423800 19.590624 30.877489 5.304553 # 2 HOH +6700 2234 1 -0.847600 18.732603 19.462263 13.841594 # 1 HOH +6701 2234 2 0.423800 18.761894 19.388580 12.826149 # 2 HOH +6702 2234 2 0.423800 18.843313 18.480036 13.901745 # 2 HOH +6703 2235 1 -0.847600 25.505682 37.747692 30.862099 # 1 HOH +6704 2235 2 0.423800 26.449198 37.930779 31.137814 # 2 HOH +6705 2235 2 0.423800 25.048822 37.586929 31.738255 # 2 HOH +6706 2236 1 -0.847600 39.909618 22.839956 41.338108 # 1 HOH +6707 2236 2 0.423800 40.617710 22.062859 41.265636 # 2 HOH +6708 2236 2 0.423800 40.508396 23.632359 41.017929 # 2 HOH +6709 2237 1 -0.847600 18.270121 2.999570 29.240473 # 1 HOH +6710 2237 2 0.423800 17.411798 3.370693 29.490463 # 2 HOH +6711 2237 2 0.423800 18.768360 3.709909 28.702194 # 2 HOH +6712 2238 1 -0.847600 31.030558 0.972512 21.505085 # 1 HOH +6713 2238 2 0.423800 30.274242 1.433347 20.964355 # 2 HOH +6714 2238 2 0.423800 30.476480 0.214557 22.015526 # 2 HOH +6715 2239 1 -0.847600 32.485825 26.320242 13.259593 # 1 HOH +6716 2239 2 0.423800 32.380123 27.147602 13.730159 # 2 HOH +6717 2239 2 0.423800 32.393307 25.511518 13.916451 # 2 HOH +6718 2240 1 -0.847600 22.709518 9.530810 0.690287 # 1 HOH +6719 2240 2 0.423800 22.452768 9.679646 1.578727 # 2 HOH +6720 2240 2 0.423800 22.679930 8.532120 0.580177 # 2 HOH +6721 2241 1 -0.847600 18.297237 38.808372 12.836652 # 1 HOH +6722 2241 2 0.423800 17.645000 38.169125 12.368648 # 2 HOH +6723 2241 2 0.423800 18.064739 38.783424 13.943409 # 2 HOH +6724 2242 1 -0.847600 37.695293 14.103750 28.142736 # 1 HOH +6725 2242 2 0.423800 37.282654 13.641061 27.357979 # 2 HOH +6726 2242 2 0.423800 37.065247 14.658530 28.581961 # 2 HOH +6727 2243 1 -0.847600 13.037389 43.117569 41.921494 # 1 HOH +6728 2243 2 0.423800 12.145549 42.606445 42.020519 # 2 HOH +6729 2243 2 0.423800 13.794901 42.386223 41.856880 # 2 HOH +6730 2244 1 -0.847600 33.285393 3.573967 11.486306 # 1 HOH +6731 2244 2 0.423800 33.930386 3.073429 11.950993 # 2 HOH +6732 2244 2 0.423800 33.227932 4.482508 11.946022 # 2 HOH +6733 2245 1 -0.847600 16.590157 25.967535 35.279751 # 1 HOH +6734 2245 2 0.423800 17.478977 26.357643 35.152905 # 2 HOH +6735 2245 2 0.423800 16.668844 25.001122 35.537750 # 2 HOH +6736 2246 1 -0.847600 12.238652 0.449402 6.158675 # 1 HOH +6737 2246 2 0.423800 12.548312 1.033802 6.892839 # 2 HOH +6738 2246 2 0.423800 11.360872 0.829879 5.983448 # 2 HOH +6739 2247 1 -0.847600 41.085583 7.507258 18.190517 # 1 HOH +6740 2247 2 0.423800 40.579826 6.606916 18.076134 # 2 HOH +6741 2247 2 0.423800 41.762573 7.611638 17.388592 # 2 HOH +6742 2248 1 -0.847600 33.219975 15.221193 34.621506 # 1 HOH +6743 2248 2 0.423800 34.144753 15.363869 34.274494 # 2 HOH +6744 2248 2 0.423800 33.088230 15.810928 35.425026 # 2 HOH +6745 2249 1 -0.847600 15.860660 36.037323 25.106253 # 1 HOH +6746 2249 2 0.423800 15.325604 36.253082 24.213913 # 2 HOH +6747 2249 2 0.423800 16.618004 35.354214 24.884895 # 2 HOH +6748 2250 1 -0.847600 14.138328 29.311371 3.639633 # 1 HOH +6749 2250 2 0.423800 14.229632 30.196850 3.218263 # 2 HOH +6750 2250 2 0.423800 13.446836 29.438738 4.418362 # 2 HOH +6751 2251 1 -0.847600 28.750185 20.862223 34.733681 # 1 HOH +6752 2251 2 0.423800 28.656874 21.880255 34.897465 # 2 HOH +6753 2251 2 0.423800 27.872440 20.541929 34.975754 # 2 HOH +6754 2252 1 -0.847600 3.469185 41.853512 25.545477 # 1 HOH +6755 2252 2 0.423800 2.721318 41.366989 25.230726 # 2 HOH +6756 2252 2 0.423800 3.960799 42.070698 24.782927 # 2 HOH +6757 2253 1 -0.847600 32.625828 35.709328 21.761641 # 1 HOH +6758 2253 2 0.423800 31.721678 35.372204 21.876211 # 2 HOH +6759 2253 2 0.423800 33.000595 35.644417 22.679317 # 2 HOH +6760 2254 1 -0.847600 42.574787 14.268566 30.487022 # 1 HOH +6761 2254 2 0.423800 43.586037 14.090131 30.339804 # 2 HOH +6762 2254 2 0.423800 42.269295 13.396445 30.764515 # 2 HOH +6763 2255 1 -0.847600 10.553996 16.101442 8.776519 # 1 HOH +6764 2255 2 0.423800 10.071631 15.916864 7.926701 # 2 HOH +6765 2255 2 0.423800 11.481869 15.703427 8.676675 # 2 HOH +6766 2256 1 -0.847600 31.584408 39.821304 17.691391 # 1 HOH +6767 2256 2 0.423800 31.723597 39.533909 18.697559 # 2 HOH +6768 2256 2 0.423800 31.043339 40.710011 17.723841 # 2 HOH +6769 2257 1 -0.847600 0.190493 9.904080 7.806705 # 1 HOH +6770 2257 2 0.423800 0.172199 10.794591 7.418589 # 2 HOH +6771 2257 2 0.423800 -0.427102 9.477178 7.237952 # 2 HOH +6772 2258 1 -0.847600 41.407425 39.967686 27.748974 # 1 HOH +6773 2258 2 0.423800 41.457058 39.858376 26.818796 # 2 HOH +6774 2258 2 0.423800 41.475830 40.944271 27.923904 # 2 HOH +6775 2259 1 -0.847600 17.299345 17.596647 15.317097 # 1 HOH +6776 2259 2 0.423800 17.900139 17.174435 14.572885 # 2 HOH +6777 2259 2 0.423800 17.907463 17.566456 16.115240 # 2 HOH +6778 2260 1 -0.847600 14.791560 14.516893 12.216390 # 1 HOH +6779 2260 2 0.423800 15.309368 15.107028 11.584399 # 2 HOH +6780 2260 2 0.423800 14.993294 14.772073 13.145323 # 2 HOH +6781 2261 1 -0.847600 30.629587 18.645720 21.695675 # 1 HOH +6782 2261 2 0.423800 31.074251 18.692968 22.549513 # 2 HOH +6783 2261 2 0.423800 31.358702 18.628160 20.919413 # 2 HOH +6784 2262 1 -0.847600 22.455919 41.592205 5.734277 # 1 HOH +6785 2262 2 0.423800 23.279440 40.926968 5.863055 # 2 HOH +6786 2262 2 0.423800 21.616806 40.955288 5.867992 # 2 HOH +6787 2263 1 -0.847600 27.946745 39.100487 10.846381 # 1 HOH +6788 2263 2 0.423800 27.012339 39.461857 11.160226 # 2 HOH +6789 2263 2 0.423800 28.604038 39.890774 10.798221 # 2 HOH +6790 2264 1 -0.847600 21.495010 14.447626 2.192482 # 1 HOH +6791 2264 2 0.423800 20.768391 14.621479 1.501113 # 2 HOH +6792 2264 2 0.423800 21.646641 15.281652 2.678238 # 2 HOH +6793 2265 1 -0.847600 9.424001 25.878656 9.109319 # 1 HOH +6794 2265 2 0.423800 8.544800 26.121799 9.531134 # 2 HOH +6795 2265 2 0.423800 9.080176 25.363945 8.292295 # 2 HOH +6796 2266 1 -0.847600 31.115112 38.850922 32.984219 # 1 HOH +6797 2266 2 0.423800 31.812790 39.467819 33.556614 # 2 HOH +6798 2266 2 0.423800 31.860214 38.140434 32.748749 # 2 HOH +6799 2267 1 -0.847600 19.938652 35.595631 32.572842 # 1 HOH +6800 2267 2 0.423800 20.548817 35.685829 31.813478 # 2 HOH +6801 2267 2 0.423800 19.440971 36.516376 32.772907 # 2 HOH +6802 2268 1 -0.847600 27.763975 1.825925 13.627810 # 1 HOH +6803 2268 2 0.423800 27.668219 2.411300 12.818761 # 2 HOH +6804 2268 2 0.423800 28.617128 1.384461 13.600951 # 2 HOH +6805 2269 1 -0.847600 16.095501 25.738255 25.416096 # 1 HOH +6806 2269 2 0.423800 16.596104 25.526854 26.253290 # 2 HOH +6807 2269 2 0.423800 15.617950 24.914288 25.258141 # 2 HOH +6808 2270 1 -0.847600 21.720888 40.484318 12.950627 # 1 HOH +6809 2270 2 0.423800 21.158356 40.334885 13.719739 # 2 HOH +6810 2270 2 0.423800 21.519255 39.663128 12.389380 # 2 HOH +6811 2271 1 -0.847600 41.281406 32.064110 2.172967 # 1 HOH +6812 2271 2 0.423800 42.048912 32.054165 1.648804 # 2 HOH +6813 2271 2 0.423800 41.415428 32.043537 3.170967 # 2 HOH +6814 2272 1 -0.847600 19.394085 14.105932 15.529613 # 1 HOH +6815 2272 2 0.423800 19.615091 14.247479 14.556626 # 2 HOH +6816 2272 2 0.423800 20.226492 14.278311 16.070496 # 2 HOH +6817 2273 1 -0.847600 5.500219 18.375874 8.256526 # 1 HOH +6818 2273 2 0.423800 4.821543 18.739594 8.920607 # 2 HOH +6819 2273 2 0.423800 6.083826 19.192137 7.946666 # 2 HOH +6820 2274 1 -0.847600 17.102091 11.985763 13.577831 # 1 HOH +6821 2274 2 0.423800 16.665794 12.911033 13.801064 # 2 HOH +6822 2274 2 0.423800 16.925777 11.912124 12.514809 # 2 HOH +6823 2275 1 -0.847600 18.754734 19.201128 31.152138 # 1 HOH +6824 2275 2 0.423800 18.507000 18.202053 31.008495 # 2 HOH +6825 2275 2 0.423800 19.722921 19.302517 30.734705 # 2 HOH +6826 2276 1 -0.847600 15.227042 4.275720 40.002098 # 1 HOH +6827 2276 2 0.423800 14.751593 4.952281 40.576233 # 2 HOH +6828 2276 2 0.423800 15.447294 4.681400 39.029926 # 2 HOH +6829 2277 1 -0.847600 34.917007 19.426210 24.869169 # 1 HOH +6830 2277 2 0.423800 34.853477 19.294590 25.786686 # 2 HOH +6831 2277 2 0.423800 35.707756 20.032339 24.741028 # 2 HOH +6832 2278 1 -0.847600 42.727791 22.546007 35.868801 # 1 HOH +6833 2278 2 0.423800 43.546719 21.936584 35.820946 # 2 HOH +6834 2278 2 0.423800 42.476429 22.784239 36.817360 # 2 HOH +6835 2279 1 -0.847600 32.684235 11.007216 5.636845 # 1 HOH +6836 2279 2 0.423800 32.375473 10.193979 6.210761 # 2 HOH +6837 2279 2 0.423800 33.744530 10.943628 5.550163 # 2 HOH +6838 2280 1 -0.847600 37.499928 18.892384 29.738943 # 1 HOH +6839 2280 2 0.423800 36.768963 18.450964 30.305342 # 2 HOH +6840 2280 2 0.423800 37.434639 19.841858 30.061920 # 2 HOH +6841 2281 1 -0.847600 25.290533 15.808522 1.448466 # 1 HOH +6842 2281 2 0.423800 25.834681 15.562722 0.668165 # 2 HOH +6843 2281 2 0.423800 24.821264 14.950458 1.678384 # 2 HOH +6844 2282 1 -0.847600 36.002464 1.461699 8.233759 # 1 HOH +6845 2282 2 0.423800 35.757843 1.213620 7.274608 # 2 HOH +6846 2282 2 0.423800 35.249893 1.067029 8.833066 # 2 HOH +6847 2283 1 -0.847600 16.169899 44.694027 0.885681 # 1 HOH +6848 2283 2 0.423800 15.874750 43.833973 1.296520 # 2 HOH +6849 2283 2 0.423800 16.158293 45.349670 1.632521 # 2 HOH +6850 2284 1 -0.847600 2.755437 44.866737 12.090795 # 1 HOH +6851 2284 2 0.423800 3.508229 44.826740 11.425951 # 2 HOH +6852 2284 2 0.423800 2.972272 45.585457 12.622849 # 2 HOH +6853 2285 1 -0.847600 34.945263 16.640545 23.815853 # 1 HOH +6854 2285 2 0.423800 34.926575 17.416712 24.347214 # 2 HOH +6855 2285 2 0.423800 35.839481 16.758284 23.405136 # 2 HOH +6856 2286 1 -0.847600 16.154325 7.126490 18.582649 # 1 HOH +6857 2286 2 0.423800 16.641338 7.594057 17.913803 # 2 HOH +6858 2286 2 0.423800 16.142843 6.126992 18.325460 # 2 HOH +6859 2287 1 -0.847600 3.709427 29.580839 6.372330 # 1 HOH +6860 2287 2 0.423800 3.476747 30.346006 6.960536 # 2 HOH +6861 2287 2 0.423800 3.723446 28.829193 6.898904 # 2 HOH +6862 2288 1 -0.847600 38.349129 9.646525 7.966976 # 1 HOH +6863 2288 2 0.423800 38.786606 8.771274 8.057124 # 2 HOH +6864 2288 2 0.423800 37.557503 9.381206 8.516658 # 2 HOH +6865 2289 1 -0.847600 38.893074 27.666367 31.225073 # 1 HOH +6866 2289 2 0.423800 38.122917 28.305830 31.295471 # 2 HOH +6867 2289 2 0.423800 39.000713 27.407108 32.203114 # 2 HOH +6868 2290 1 -0.847600 42.968849 33.252766 36.097565 # 1 HOH +6869 2290 2 0.423800 42.389244 32.487907 36.089664 # 2 HOH +6870 2290 2 0.423800 42.863712 33.489342 37.068413 # 2 HOH +6871 2291 1 -0.847600 5.428666 41.354687 13.532997 # 1 HOH +6872 2291 2 0.423800 5.648734 41.626625 14.590016 # 2 HOH +6873 2291 2 0.423800 6.163368 40.912933 13.121552 # 2 HOH +6874 2292 1 -0.847600 16.885468 9.515938 41.190250 # 1 HOH +6875 2292 2 0.423800 17.658289 9.482914 41.881413 # 2 HOH +6876 2292 2 0.423800 16.189339 9.987868 41.575077 # 2 HOH +6877 2293 1 -0.847600 40.064053 4.752126 37.427883 # 1 HOH +6878 2293 2 0.423800 40.713650 5.163697 37.985584 # 2 HOH +6879 2293 2 0.423800 40.476479 4.856566 36.560204 # 2 HOH +6880 2294 1 -0.847600 31.297541 7.989097 22.519955 # 1 HOH +6881 2294 2 0.423800 30.501945 8.552727 22.262859 # 2 HOH +6882 2294 2 0.423800 32.041451 8.498408 22.141916 # 2 HOH +6883 2295 1 -0.847600 20.642691 22.710962 13.186604 # 1 HOH +6884 2295 2 0.423800 19.762554 22.814051 12.636829 # 2 HOH +6885 2295 2 0.423800 21.179653 23.545755 12.955441 # 2 HOH +6886 2296 1 -0.847600 7.989584 4.876782 11.232782 # 1 HOH +6887 2296 2 0.423800 8.829140 4.848654 10.576318 # 2 HOH +6888 2296 2 0.423800 7.209002 4.964233 10.677338 # 2 HOH +6889 2297 1 -0.847600 39.456497 17.442209 9.408471 # 1 HOH +6890 2297 2 0.423800 39.948235 18.045149 9.978414 # 2 HOH +6891 2297 2 0.423800 38.539425 17.839891 9.204284 # 2 HOH +6892 2298 1 -0.847600 15.887408 43.810196 25.961861 # 1 HOH +6893 2298 2 0.423800 15.934400 44.496490 26.683146 # 2 HOH +6894 2298 2 0.423800 16.507086 44.324894 25.298864 # 2 HOH +6895 2299 1 -0.847600 16.728825 21.260624 5.998479 # 1 HOH +6896 2299 2 0.423800 15.976894 21.926321 6.239772 # 2 HOH +6897 2299 2 0.423800 17.201395 21.098284 6.877278 # 2 HOH +6898 2300 1 -0.847600 35.863583 34.354477 23.797752 # 1 HOH +6899 2300 2 0.423800 35.206551 35.040203 23.767006 # 2 HOH +6900 2300 2 0.423800 36.714378 34.740215 23.424849 # 2 HOH +6901 2301 1 -0.847600 29.651867 19.599825 12.313043 # 1 HOH +6902 2301 2 0.423800 30.349434 19.903542 11.646264 # 2 HOH +6903 2301 2 0.423800 28.789810 19.665279 11.767841 # 2 HOH +6904 2302 1 -0.847600 30.218000 30.334194 2.066890 # 1 HOH +6905 2302 2 0.423800 30.651569 31.211931 2.016102 # 2 HOH +6906 2302 2 0.423800 30.393101 29.988825 3.004323 # 2 HOH +6907 2303 1 -0.847600 11.054308 38.769657 15.171456 # 1 HOH +6908 2303 2 0.423800 11.070900 37.762886 15.245404 # 2 HOH +6909 2303 2 0.423800 10.773002 38.972080 14.154466 # 2 HOH +6910 2304 1 -0.847600 4.175430 11.678831 37.502426 # 1 HOH +6911 2304 2 0.423800 3.966652 10.758319 37.330063 # 2 HOH +6912 2304 2 0.423800 3.396689 12.127466 37.974403 # 2 HOH +6913 2305 1 -0.847600 28.373753 39.013348 6.542629 # 1 HOH +6914 2305 2 0.423800 27.738478 38.780563 7.304862 # 2 HOH +6915 2305 2 0.423800 27.812243 39.492977 5.912604 # 2 HOH +6916 2306 1 -0.847600 7.320097 11.304561 42.317375 # 1 HOH +6917 2306 2 0.423800 6.749146 11.538114 41.440426 # 2 HOH +6918 2306 2 0.423800 8.299892 11.462403 42.101852 # 2 HOH +6919 2307 1 -0.847600 10.965234 29.013308 20.984390 # 1 HOH +6920 2307 2 0.423800 11.791597 29.037434 21.519131 # 2 HOH +6921 2307 2 0.423800 10.745784 29.965685 20.787613 # 2 HOH +6922 2308 1 -0.847600 35.907188 7.820654 7.299137 # 1 HOH +6923 2308 2 0.423800 36.417007 7.560506 8.056544 # 2 HOH +6924 2308 2 0.423800 35.238964 8.539612 7.640318 # 2 HOH +6925 2309 1 -0.847600 11.119532 22.101263 14.969585 # 1 HOH +6926 2309 2 0.423800 10.491396 22.594639 15.456750 # 2 HOH +6927 2309 2 0.423800 10.819808 22.163523 14.035773 # 2 HOH +6928 2310 1 -0.847600 12.911085 28.886206 13.248480 # 1 HOH +6929 2310 2 0.423800 12.834594 29.666782 13.744213 # 2 HOH +6930 2310 2 0.423800 12.112994 28.328815 13.339675 # 2 HOH +6931 2311 1 -0.847600 6.995978 31.275293 6.347298 # 1 HOH +6932 2311 2 0.423800 6.288093 31.559708 5.792147 # 2 HOH +6933 2311 2 0.423800 6.913558 30.244246 6.382795 # 2 HOH +6934 2312 1 -0.847600 3.473980 9.604449 7.812461 # 1 HOH +6935 2312 2 0.423800 2.480479 9.542074 7.816650 # 2 HOH +6936 2312 2 0.423800 3.650211 10.554312 7.937343 # 2 HOH +6937 2313 1 -0.847600 7.288887 8.249625 39.632690 # 1 HOH +6938 2313 2 0.423800 8.134517 7.894515 39.960983 # 2 HOH +6939 2313 2 0.423800 6.744160 8.218855 40.510429 # 2 HOH +6940 2314 1 -0.847600 36.861855 6.005639 37.362064 # 1 HOH +6941 2314 2 0.423800 36.902134 6.518826 36.510708 # 2 HOH +6942 2314 2 0.423800 36.237320 5.237453 37.144600 # 2 HOH +6943 2315 1 -0.847600 21.460392 22.876366 29.945915 # 1 HOH +6944 2315 2 0.423800 20.949671 22.468250 30.745499 # 2 HOH +6945 2315 2 0.423800 22.251005 23.177374 30.577147 # 2 HOH +6946 2316 1 -0.847600 35.636162 39.075958 36.037907 # 1 HOH +6947 2316 2 0.423800 36.069664 39.560078 36.892239 # 2 HOH +6948 2316 2 0.423800 36.288189 39.244938 35.286243 # 2 HOH +6949 2317 1 -0.847600 9.696824 1.537265 5.650214 # 1 HOH +6950 2317 2 0.423800 9.753975 2.194368 4.966615 # 2 HOH +6951 2317 2 0.423800 9.392964 1.961341 6.477850 # 2 HOH +6952 2318 1 -0.847600 37.740566 28.337782 13.496673 # 1 HOH +6953 2318 2 0.423800 38.706043 28.413708 13.054684 # 2 HOH +6954 2318 2 0.423800 37.785595 27.395588 13.855506 # 2 HOH +6955 2319 1 -0.847600 40.048492 17.785046 0.377872 # 1 HOH +6956 2319 2 0.423800 40.102619 17.552818 1.399377 # 2 HOH +6957 2319 2 0.423800 39.096249 18.096977 0.354316 # 2 HOH +6958 2320 1 -0.847600 25.724781 34.895428 10.438421 # 1 HOH +6959 2320 2 0.423800 26.345421 35.219410 11.228682 # 2 HOH +6960 2320 2 0.423800 24.770615 34.970924 10.853218 # 2 HOH +6961 2321 1 -0.847600 29.037144 5.001693 13.215395 # 1 HOH +6962 2321 2 0.423800 28.645947 4.495178 12.508807 # 2 HOH +6963 2321 2 0.423800 28.398933 5.123660 14.075158 # 2 HOH +6964 2322 1 -0.847600 1.360252 23.517021 4.162449 # 1 HOH +6965 2322 2 0.423800 0.528969 23.177799 4.638343 # 2 HOH +6966 2322 2 0.423800 1.092546 24.334520 3.575453 # 2 HOH +6967 2323 1 -0.847600 6.964960 41.318260 31.285809 # 1 HOH +6968 2323 2 0.423800 7.237410 42.011806 31.947264 # 2 HOH +6969 2323 2 0.423800 7.809328 41.099995 30.892443 # 2 HOH +6970 2324 1 -0.847600 26.198921 39.902710 1.505498 # 1 HOH +6971 2324 2 0.423800 25.902172 39.369156 2.258139 # 2 HOH +6972 2324 2 0.423800 25.490780 39.738583 0.723533 # 2 HOH +6973 2325 1 -0.847600 15.347115 39.992203 23.585236 # 1 HOH +6974 2325 2 0.423800 16.302368 39.670692 23.706253 # 2 HOH +6975 2325 2 0.423800 15.032082 39.463097 22.893244 # 2 HOH +6976 2326 1 -0.847600 32.628109 2.596146 8.075931 # 1 HOH +6977 2326 2 0.423800 33.303169 3.322255 8.136780 # 2 HOH +6978 2326 2 0.423800 32.897362 2.196614 8.983142 # 2 HOH +6979 2327 1 -0.847600 6.791317 26.762745 8.814244 # 1 HOH +6980 2327 2 0.423800 6.531650 26.761972 7.831149 # 2 HOH +6981 2327 2 0.423800 6.946149 27.718418 8.987156 # 2 HOH +6982 2328 1 -0.847600 5.638114 6.349689 15.772394 # 1 HOH +6983 2328 2 0.423800 5.589644 6.877541 14.897050 # 2 HOH +6984 2328 2 0.423800 5.206738 6.908020 16.457434 # 2 HOH +6985 2329 1 -0.847600 32.096050 11.820570 22.601095 # 1 HOH +6986 2329 2 0.423800 32.500126 12.569096 23.158339 # 2 HOH +6987 2329 2 0.423800 32.435593 11.804856 21.684629 # 2 HOH +6988 2330 1 -0.847600 36.494476 43.603054 13.991993 # 1 HOH +6989 2330 2 0.423800 35.653423 43.719227 14.446665 # 2 HOH +6990 2330 2 0.423800 37.364895 43.823437 14.500554 # 2 HOH +6991 2331 1 -0.847600 6.060050 28.613514 37.811745 # 1 HOH +6992 2331 2 0.423800 6.190267 28.746138 36.840786 # 2 HOH +6993 2331 2 0.423800 5.516655 29.493298 38.072418 # 2 HOH +6994 2332 1 -0.847600 11.076336 5.362903 14.801874 # 1 HOH +6995 2332 2 0.423800 10.068990 5.415736 14.981930 # 2 HOH +6996 2332 2 0.423800 11.546740 5.159065 15.717042 # 2 HOH +6997 2333 1 -0.847600 22.172682 34.892410 20.844889 # 1 HOH +6998 2333 2 0.423800 21.315641 34.517635 20.610184 # 2 HOH +6999 2333 2 0.423800 21.935577 35.682201 21.525913 # 2 HOH +7000 2334 1 -0.847600 9.370536 35.104362 18.620937 # 1 HOH +7001 2334 2 0.423800 8.455433 35.581776 18.761738 # 2 HOH +7002 2334 2 0.423800 9.410612 34.608257 19.521965 # 2 HOH +7003 2335 1 -0.847600 16.149263 20.220928 21.730082 # 1 HOH +7004 2335 2 0.423800 16.179302 19.464199 22.508999 # 2 HOH +7005 2335 2 0.423800 16.289988 19.568356 20.966850 # 2 HOH +7006 2336 1 -0.847600 30.076754 3.139161 36.065163 # 1 HOH +7007 2336 2 0.423800 29.266169 3.759103 36.320995 # 2 HOH +7008 2336 2 0.423800 30.845654 3.730170 35.723328 # 2 HOH +7009 2337 1 -0.847600 14.291768 37.605049 18.746935 # 1 HOH +7010 2337 2 0.423800 13.715666 37.697201 17.943531 # 2 HOH +7011 2337 2 0.423800 13.926989 36.798771 19.224779 # 2 HOH +7012 2338 1 -0.847600 40.372936 14.101880 11.307570 # 1 HOH +7013 2338 2 0.423800 40.483608 13.183362 10.954683 # 2 HOH +7014 2338 2 0.423800 39.667625 14.550370 10.780095 # 2 HOH +7015 2339 1 -0.847600 30.653984 21.838976 21.769537 # 1 HOH +7016 2339 2 0.423800 29.746155 21.621271 21.388178 # 2 HOH +7017 2339 2 0.423800 30.516510 21.610596 22.758604 # 2 HOH +7018 2340 1 -0.847600 36.543339 30.068930 33.452938 # 1 HOH +7019 2340 2 0.423800 36.795399 30.230309 32.518517 # 2 HOH +7020 2340 2 0.423800 36.703732 29.064600 33.547009 # 2 HOH +7021 2341 1 -0.847600 43.496395 19.690706 32.583714 # 1 HOH +7022 2341 2 0.423800 44.194332 19.282810 31.840054 # 2 HOH +7023 2341 2 0.423800 42.899239 18.868130 32.919220 # 2 HOH +7024 2342 1 -0.847600 26.190933 42.466183 15.362337 # 1 HOH +7025 2342 2 0.423800 25.548309 41.776081 14.964020 # 2 HOH +7026 2342 2 0.423800 25.754143 42.747425 16.310806 # 2 HOH +7027 2343 1 -0.847600 26.375828 16.385847 41.205128 # 1 HOH +7028 2343 2 0.423800 26.003258 16.308720 40.305809 # 2 HOH +7029 2343 2 0.423800 27.144238 15.599055 41.251709 # 2 HOH +7030 2344 1 -0.847600 33.783798 33.181873 41.817024 # 1 HOH +7031 2344 2 0.423800 32.929176 33.337646 41.278244 # 2 HOH +7032 2344 2 0.423800 33.742435 32.139942 41.977760 # 2 HOH +7033 2345 1 -0.847600 13.540317 21.466148 22.710861 # 1 HOH +7034 2345 2 0.423800 14.214217 20.599354 22.775091 # 2 HOH +7035 2345 2 0.423800 12.941847 21.106735 21.935150 # 2 HOH +7036 2346 1 -0.847600 28.587849 12.623879 30.373421 # 1 HOH +7037 2346 2 0.423800 27.807699 12.963032 30.936163 # 2 HOH +7038 2346 2 0.423800 29.217129 12.850945 31.058846 # 2 HOH +7039 2347 1 -0.847600 20.220602 40.005409 6.555404 # 1 HOH +7040 2347 2 0.423800 19.284302 40.279278 6.509452 # 2 HOH +7041 2347 2 0.423800 20.175621 39.165211 6.176149 # 2 HOH +7042 2348 1 -0.847600 26.466967 21.534805 25.183537 # 1 HOH +7043 2348 2 0.423800 26.410479 20.570877 25.278625 # 2 HOH +7044 2348 2 0.423800 26.392401 21.750406 24.233919 # 2 HOH +7045 2349 1 -0.847600 33.763725 40.913818 38.808865 # 1 HOH +7046 2349 2 0.423800 33.553688 40.688042 39.745785 # 2 HOH +7047 2349 2 0.423800 33.386272 41.880203 38.873314 # 2 HOH +7048 2350 1 -0.847600 28.389202 8.886065 41.489170 # 1 HOH +7049 2350 2 0.423800 28.440720 8.011224 41.751606 # 2 HOH +7050 2350 2 0.423800 29.179483 8.985623 40.853600 # 2 HOH +7051 2351 1 -0.847600 36.033588 2.229670 16.451035 # 1 HOH +7052 2351 2 0.423800 36.156521 2.036971 17.501688 # 2 HOH +7053 2351 2 0.423800 36.973660 1.991030 15.992227 # 2 HOH +7054 2352 1 -0.847600 10.545869 11.744478 16.100859 # 1 HOH +7055 2352 2 0.423800 10.880980 12.648751 16.213390 # 2 HOH +7056 2352 2 0.423800 9.541013 11.721416 16.252111 # 2 HOH +7057 2353 1 -0.847600 22.551826 33.345573 25.686960 # 1 HOH +7058 2353 2 0.423800 22.205219 32.437778 25.755135 # 2 HOH +7059 2353 2 0.423800 23.285381 33.414845 26.360857 # 2 HOH +7060 2354 1 -0.847600 32.501095 43.395229 7.642764 # 1 HOH +7061 2354 2 0.423800 33.017605 42.891079 8.308629 # 2 HOH +7062 2354 2 0.423800 31.766291 43.788212 8.268014 # 2 HOH +7063 2355 1 -0.847600 30.635283 21.849731 40.576263 # 1 HOH +7064 2355 2 0.423800 31.454624 21.456875 40.178612 # 2 HOH +7065 2355 2 0.423800 30.780012 22.778439 41.008389 # 2 HOH +7066 2356 1 -0.847600 2.193013 23.388422 39.646790 # 1 HOH +7067 2356 2 0.423800 1.230937 23.406370 39.467110 # 2 HOH +7068 2356 2 0.423800 2.381077 24.251204 40.261265 # 2 HOH +7069 2357 1 -0.847600 29.806005 18.721809 27.965258 # 1 HOH +7070 2357 2 0.423800 30.492149 19.381245 27.972486 # 2 HOH +7071 2357 2 0.423800 30.146385 18.381775 28.899540 # 2 HOH +7072 2358 1 -0.847600 29.446863 11.500809 6.132851 # 1 HOH +7073 2358 2 0.423800 30.170809 11.534035 6.856936 # 2 HOH +7074 2358 2 0.423800 29.634031 10.555068 5.834406 # 2 HOH +7075 2359 1 -0.847600 23.866537 21.663380 37.359116 # 1 HOH +7076 2359 2 0.423800 24.300196 21.974733 38.227993 # 2 HOH +7077 2359 2 0.423800 23.436302 20.729414 37.568714 # 2 HOH +7078 2360 1 -0.847600 11.989244 17.596031 5.055411 # 1 HOH +7079 2360 2 0.423800 11.764740 16.861671 4.404497 # 2 HOH +7080 2360 2 0.423800 11.096704 17.691498 5.502254 # 2 HOH +7081 2361 1 -0.847600 12.903686 32.912117 5.515622 # 1 HOH +7082 2361 2 0.423800 12.859175 33.881161 5.835018 # 2 HOH +7083 2361 2 0.423800 12.300322 32.734283 4.665791 # 2 HOH +7084 2362 1 -0.847600 14.715966 11.646236 9.928480 # 1 HOH +7085 2362 2 0.423800 14.522109 12.200443 9.269906 # 2 HOH +7086 2362 2 0.423800 15.639961 11.887577 10.084362 # 2 HOH +7087 2363 1 -0.847600 28.627501 36.732208 22.994757 # 1 HOH +7088 2363 2 0.423800 29.479595 37.358856 23.083170 # 2 HOH +7089 2363 2 0.423800 28.497723 36.764580 22.025600 # 2 HOH +7090 2364 1 -0.847600 20.898212 26.612118 17.929457 # 1 HOH +7091 2364 2 0.423800 21.499092 25.926037 18.052479 # 2 HOH +7092 2364 2 0.423800 20.031916 26.492315 18.401245 # 2 HOH +7093 2365 1 -0.847600 9.694736 12.820364 19.421097 # 1 HOH +7094 2365 2 0.423800 10.198283 11.901069 19.632656 # 2 HOH +7095 2365 2 0.423800 10.365919 13.522749 19.634314 # 2 HOH +7096 2366 1 -0.847600 41.339340 13.510362 41.607231 # 1 HOH +7097 2366 2 0.423800 41.076073 12.906405 40.944283 # 2 HOH +7098 2366 2 0.423800 41.091545 14.417302 41.343132 # 2 HOH +7099 2367 1 -0.847600 7.944459 2.466128 37.652191 # 1 HOH +7100 2367 2 0.423800 8.433817 2.045038 38.374809 # 2 HOH +7101 2367 2 0.423800 7.638772 1.801976 36.991188 # 2 HOH +7102 2368 1 -0.847600 12.035034 40.419849 2.457717 # 1 HOH +7103 2368 2 0.423800 11.781853 41.260067 3.114095 # 2 HOH +7104 2368 2 0.423800 12.910681 40.058163 2.669398 # 2 HOH +7105 2369 1 -0.847600 41.971924 18.226522 12.797339 # 1 HOH +7106 2369 2 0.423800 42.682392 18.422678 13.459797 # 2 HOH +7107 2369 2 0.423800 42.150185 17.283369 12.509689 # 2 HOH +7108 2370 1 -0.847600 25.802933 24.578276 10.148236 # 1 HOH +7109 2370 2 0.423800 25.018169 24.916040 9.714516 # 2 HOH +7110 2370 2 0.423800 25.993521 23.882027 9.554946 # 2 HOH +7111 2371 1 -0.847600 30.612366 14.928247 14.885301 # 1 HOH +7112 2371 2 0.423800 30.347345 15.242475 15.778103 # 2 HOH +7113 2371 2 0.423800 31.463715 15.376669 14.734436 # 2 HOH +7114 2372 1 -0.847600 27.494343 26.830303 10.644262 # 1 HOH +7115 2372 2 0.423800 27.693245 26.559910 11.561133 # 2 HOH +7116 2372 2 0.423800 26.672798 26.239332 10.535420 # 2 HOH +7117 2373 1 -0.847600 35.274364 31.913342 24.619913 # 1 HOH +7118 2373 2 0.423800 35.762131 31.303959 23.961813 # 2 HOH +7119 2373 2 0.423800 35.582561 32.848289 24.406216 # 2 HOH +7120 2374 1 -0.847600 32.162174 30.244944 10.959833 # 1 HOH +7121 2374 2 0.423800 31.810896 31.008625 11.444757 # 2 HOH +7122 2374 2 0.423800 31.462994 29.534483 11.217400 # 2 HOH +7123 2375 1 -0.847600 38.317062 42.736279 28.068092 # 1 HOH +7124 2375 2 0.423800 39.079506 42.576660 28.688160 # 2 HOH +7125 2375 2 0.423800 38.694481 42.960155 27.188744 # 2 HOH +7126 2376 1 -0.847600 33.872597 5.782213 5.195751 # 1 HOH +7127 2376 2 0.423800 34.250881 4.900518 5.253982 # 2 HOH +7128 2376 2 0.423800 33.213848 5.927937 5.990115 # 2 HOH +7129 2377 1 -0.847600 11.636131 8.480412 20.270321 # 1 HOH +7130 2377 2 0.423800 11.317975 9.099726 19.510052 # 2 HOH +7131 2377 2 0.423800 10.872241 7.805404 20.435841 # 2 HOH +7132 2378 1 -0.847600 15.414889 40.336617 14.738576 # 1 HOH +7133 2378 2 0.423800 15.696134 41.211361 14.356167 # 2 HOH +7134 2378 2 0.423800 16.308060 39.893105 14.987909 # 2 HOH +7135 2379 1 -0.847600 27.492357 43.127514 19.284956 # 1 HOH +7136 2379 2 0.423800 26.900829 42.480938 19.823820 # 2 HOH +7137 2379 2 0.423800 27.287746 44.023003 19.558714 # 2 HOH +7138 2380 1 -0.847600 5.203712 14.312971 37.289627 # 1 HOH +7139 2380 2 0.423800 4.851162 13.375888 37.247322 # 2 HOH +7140 2380 2 0.423800 4.481808 14.795343 36.860027 # 2 HOH +7141 2381 1 -0.847600 21.438194 16.406557 4.121160 # 1 HOH +7142 2381 2 0.423800 20.722790 16.974218 3.623635 # 2 HOH +7143 2381 2 0.423800 22.292589 16.804810 3.992406 # 2 HOH +7144 2382 1 -0.847600 19.540951 20.414356 34.833378 # 1 HOH +7145 2382 2 0.423800 19.195528 19.469837 34.533981 # 2 HOH +7146 2382 2 0.423800 18.706333 20.903391 35.122974 # 2 HOH +7147 2383 1 -0.847600 9.728167 38.508667 36.188728 # 1 HOH +7148 2383 2 0.423800 10.543791 39.117290 36.117859 # 2 HOH +7149 2383 2 0.423800 9.628128 38.095871 35.263084 # 2 HOH +7150 2384 1 -0.847600 41.023300 16.375717 30.972315 # 1 HOH +7151 2384 2 0.423800 41.637379 16.639498 31.723953 # 2 HOH +7152 2384 2 0.423800 41.439537 15.481171 30.753231 # 2 HOH +7153 2385 1 -0.847600 4.887915 24.654545 40.804939 # 1 HOH +7154 2385 2 0.423800 5.525321 25.386143 40.742538 # 2 HOH +7155 2385 2 0.423800 5.356590 23.888691 40.408325 # 2 HOH +7156 2386 1 -0.847600 17.087744 19.229326 1.500653 # 1 HOH +7157 2386 2 0.423800 17.560989 19.552006 0.648670 # 2 HOH +7158 2386 2 0.423800 17.285341 19.771547 2.279549 # 2 HOH +7159 2387 1 -0.847600 32.591381 17.112776 32.490608 # 1 HOH +7160 2387 2 0.423800 32.806473 16.745806 33.383354 # 2 HOH +7161 2387 2 0.423800 31.928465 17.752325 32.891182 # 2 HOH +7162 2388 1 -0.847600 31.694473 41.400696 9.516348 # 1 HOH +7163 2388 2 0.423800 31.419685 42.345158 9.671096 # 2 HOH +7164 2388 2 0.423800 30.975819 40.830788 9.941266 # 2 HOH +7165 2389 1 -0.847600 19.982740 32.543938 18.775953 # 1 HOH +7166 2389 2 0.423800 19.718122 32.856289 17.828892 # 2 HOH +7167 2389 2 0.423800 19.652775 33.291313 19.447617 # 2 HOH +7168 2390 1 -0.847600 17.714762 3.402962 34.299221 # 1 HOH +7169 2390 2 0.423800 16.859583 3.656698 33.874462 # 2 HOH +7170 2390 2 0.423800 17.532431 3.080474 35.246166 # 2 HOH +7171 2391 1 -0.847600 3.946334 4.941998 18.023775 # 1 HOH +7172 2391 2 0.423800 4.320723 5.173730 17.134325 # 2 HOH +7173 2391 2 0.423800 3.086667 5.372822 18.015068 # 2 HOH +7174 2392 1 -0.847600 17.611624 43.404591 8.881728 # 1 HOH +7175 2392 2 0.423800 17.816456 44.182552 8.213478 # 2 HOH +7176 2392 2 0.423800 18.479437 43.394169 9.417485 # 2 HOH +7177 2393 1 -0.847600 3.807965 28.858564 10.136419 # 1 HOH +7178 2393 2 0.423800 2.955860 28.669981 10.589402 # 2 HOH +7179 2393 2 0.423800 4.162433 28.016287 9.835671 # 2 HOH +7180 2394 1 -0.847600 1.195482 34.186081 5.090820 # 1 HOH +7181 2394 2 0.423800 0.919699 34.550053 4.219017 # 2 HOH +7182 2394 2 0.423800 1.377906 33.200703 5.023149 # 2 HOH +7183 2395 1 -0.847600 10.597077 33.719685 8.948011 # 1 HOH +7184 2395 2 0.423800 9.792019 33.513481 8.386439 # 2 HOH +7185 2395 2 0.423800 11.310751 33.739025 8.326906 # 2 HOH +7186 2396 1 -0.847600 5.180058 34.715496 25.534876 # 1 HOH +7187 2396 2 0.423800 4.564208 34.631416 24.705233 # 2 HOH +7188 2396 2 0.423800 5.961172 35.416378 25.232090 # 2 HOH +7189 2397 1 -0.847600 35.090660 10.260901 28.231123 # 1 HOH +7190 2397 2 0.423800 35.302250 10.870955 27.485191 # 2 HOH +7191 2397 2 0.423800 35.702641 9.553575 27.981207 # 2 HOH +7192 2398 1 -0.847600 2.916574 17.639799 6.817722 # 1 HOH +7193 2398 2 0.423800 3.737928 18.031111 6.973711 # 2 HOH +7194 2398 2 0.423800 2.616720 17.280382 7.645448 # 2 HOH +7195 2399 1 -0.847600 6.712985 15.723529 33.980606 # 1 HOH +7196 2399 2 0.423800 7.618043 15.889050 33.573082 # 2 HOH +7197 2399 2 0.423800 6.225935 16.529343 33.727676 # 2 HOH +7198 2400 1 -0.847600 4.383204 36.149204 40.223671 # 1 HOH +7199 2400 2 0.423800 3.435666 35.857994 40.462471 # 2 HOH +7200 2400 2 0.423800 4.466052 35.844479 39.190029 # 2 HOH +7201 2401 1 -0.847600 19.179905 16.754641 22.901272 # 1 HOH +7202 2401 2 0.423800 20.191111 16.598421 23.026424 # 2 HOH +7203 2401 2 0.423800 18.918564 16.126410 22.154865 # 2 HOH +7204 2402 1 -0.847600 42.705830 15.704947 11.525322 # 1 HOH +7205 2402 2 0.423800 42.560181 15.222179 10.701761 # 2 HOH +7206 2402 2 0.423800 42.229881 15.049458 12.190806 # 2 HOH +7207 2403 1 -0.847600 30.720425 35.366425 27.404869 # 1 HOH +7208 2403 2 0.423800 30.201756 35.370953 26.535702 # 2 HOH +7209 2403 2 0.423800 29.949972 35.224220 27.985523 # 2 HOH +7210 2404 1 -0.847600 35.447117 12.526830 33.517853 # 1 HOH +7211 2404 2 0.423800 34.661636 12.480477 32.945656 # 2 HOH +7212 2404 2 0.423800 35.556675 13.499574 33.534061 # 2 HOH +7213 2405 1 -0.847600 28.179173 40.013447 17.399454 # 1 HOH +7214 2405 2 0.423800 27.319284 40.284637 17.681179 # 2 HOH +7215 2405 2 0.423800 28.031816 39.256054 16.686943 # 2 HOH +7216 2406 1 -0.847600 24.260809 8.934415 23.760008 # 1 HOH +7217 2406 2 0.423800 24.861027 9.231565 24.546331 # 2 HOH +7218 2406 2 0.423800 24.000551 8.004421 23.978601 # 2 HOH +7219 2407 1 -0.847600 23.568790 4.291929 12.985774 # 1 HOH +7220 2407 2 0.423800 23.154337 4.423802 13.914687 # 2 HOH +7221 2407 2 0.423800 23.645889 3.252081 12.835660 # 2 HOH +7222 2408 1 -0.847600 2.990351 35.981331 5.970277 # 1 HOH +7223 2408 2 0.423800 3.150531 36.536938 5.181489 # 2 HOH +7224 2408 2 0.423800 2.619529 35.109730 5.649086 # 2 HOH +7225 2409 1 -0.847600 15.270025 40.771542 18.620577 # 1 HOH +7226 2409 2 0.423800 15.075693 41.332706 19.339054 # 2 HOH +7227 2409 2 0.423800 14.394561 40.495213 18.337967 # 2 HOH +7228 2410 1 -0.847600 11.840777 34.927986 22.849182 # 1 HOH +7229 2410 2 0.423800 11.836037 35.221840 23.846912 # 2 HOH +7230 2410 2 0.423800 11.013537 34.180836 22.902594 # 2 HOH +7231 2411 1 -0.847600 6.100332 5.375354 36.664513 # 1 HOH +7232 2411 2 0.423800 5.380564 6.010068 36.709221 # 2 HOH +7233 2411 2 0.423800 5.605383 4.534814 36.765995 # 2 HOH +7234 2412 1 -0.847600 31.607414 37.121235 36.137585 # 1 HOH +7235 2412 2 0.423800 30.644030 37.399345 36.453671 # 2 HOH +7236 2412 2 0.423800 32.041485 37.743595 36.802700 # 2 HOH +7237 2413 1 -0.847600 1.181094 5.439749 41.123318 # 1 HOH +7238 2413 2 0.423800 1.898943 5.347097 40.358162 # 2 HOH +7239 2413 2 0.423800 1.826864 5.513980 41.937824 # 2 HOH +7240 2414 1 -0.847600 29.462755 2.115270 30.904982 # 1 HOH +7241 2414 2 0.423800 28.831127 2.291037 31.780924 # 2 HOH +7242 2414 2 0.423800 30.110264 1.389585 31.166964 # 2 HOH +7243 2415 1 -0.847600 1.059711 29.051365 28.547569 # 1 HOH +7244 2415 2 0.423800 1.221715 28.899857 29.480316 # 2 HOH +7245 2415 2 0.423800 0.288286 29.714396 28.563038 # 2 HOH +7246 2416 1 -0.847600 7.982979 14.093442 13.862818 # 1 HOH +7247 2416 2 0.423800 7.301443 13.413668 14.095885 # 2 HOH +7248 2416 2 0.423800 8.120906 13.865503 12.908865 # 2 HOH +7249 2417 1 -0.847600 38.681068 -0.808878 35.385380 # 1 HOH +7250 2417 2 0.423800 38.219822 0.019208 35.879192 # 2 HOH +7251 2417 2 0.423800 39.336475 -1.248911 35.995895 # 2 HOH +7252 2418 1 -0.847600 30.762972 3.047088 40.821735 # 1 HOH +7253 2418 2 0.423800 31.114574 3.075706 41.799187 # 2 HOH +7254 2418 2 0.423800 31.407122 2.391842 40.354946 # 2 HOH +7255 2419 1 -0.847600 22.634083 11.141753 34.956238 # 1 HOH +7256 2419 2 0.423800 21.722179 10.910643 34.996216 # 2 HOH +7257 2419 2 0.423800 22.724878 12.141564 34.889572 # 2 HOH +7258 2420 1 -0.847600 41.791153 30.792154 35.880009 # 1 HOH +7259 2420 2 0.423800 41.687874 29.751482 36.196556 # 2 HOH +7260 2420 2 0.423800 40.871391 30.945139 35.395481 # 2 HOH +7261 2421 1 -0.847600 34.248268 5.515175 33.861599 # 1 HOH +7262 2421 2 0.423800 33.384319 4.974608 34.090050 # 2 HOH +7263 2421 2 0.423800 34.708611 5.033725 33.138283 # 2 HOH +7264 2422 1 -0.847600 13.924483 35.308861 16.370983 # 1 HOH +7265 2422 2 0.423800 13.093195 34.747837 16.532141 # 2 HOH +7266 2422 2 0.423800 13.789804 35.617889 15.327690 # 2 HOH +7267 2423 1 -0.847600 4.716667 26.197512 37.676975 # 1 HOH +7268 2423 2 0.423800 4.679031 25.178854 37.826988 # 2 HOH +7269 2423 2 0.423800 5.424890 26.553802 38.215855 # 2 HOH +7270 2424 1 -0.847600 17.434780 40.269707 30.808250 # 1 HOH +7271 2424 2 0.423800 16.984636 41.122658 30.460075 # 2 HOH +7272 2424 2 0.423800 16.909803 39.773754 31.506229 # 2 HOH +7273 2425 1 -0.847600 32.154636 28.630741 15.102153 # 1 HOH +7274 2425 2 0.423800 33.033054 29.217960 15.068779 # 2 HOH +7275 2425 2 0.423800 31.994947 28.333900 16.051886 # 2 HOH +7276 2426 1 -0.847600 27.092258 33.488121 17.205761 # 1 HOH +7277 2426 2 0.423800 27.960794 33.844196 16.858763 # 2 HOH +7278 2426 2 0.423800 27.053951 33.453278 18.212185 # 2 HOH +7279 2427 1 -0.847600 0.667644 26.300871 32.739376 # 1 HOH +7280 2427 2 0.423800 1.269580 25.502857 32.412956 # 2 HOH +7281 2427 2 0.423800 1.313441 26.994638 32.774403 # 2 HOH +7282 2428 1 -0.847600 21.188484 5.892849 39.595669 # 1 HOH +7283 2428 2 0.423800 21.149342 6.769034 40.135941 # 2 HOH +7284 2428 2 0.423800 20.361418 5.930408 38.957367 # 2 HOH +7285 2429 1 -0.847600 2.824478 15.946495 29.051714 # 1 HOH +7286 2429 2 0.423800 2.817176 16.471533 28.143682 # 2 HOH +7287 2429 2 0.423800 3.880915 15.805712 29.394121 # 2 HOH +7288 2430 1 -0.847600 21.358200 17.542469 28.796087 # 1 HOH +7289 2430 2 0.423800 20.709629 18.287024 28.504532 # 2 HOH +7290 2430 2 0.423800 20.869972 16.690945 29.022308 # 2 HOH +7291 2431 1 -0.847600 3.951880 26.126329 9.368399 # 1 HOH +7292 2431 2 0.423800 4.841615 25.744192 9.216987 # 2 HOH +7293 2431 2 0.423800 3.904367 26.244364 10.409529 # 2 HOH +7294 2432 1 -0.847600 11.597790 18.638515 9.945620 # 1 HOH +7295 2432 2 0.423800 11.276202 18.197866 10.813031 # 2 HOH +7296 2432 2 0.423800 11.386327 17.909893 9.276720 # 2 HOH +7297 2433 1 -0.847600 24.189543 4.734837 9.380580 # 1 HOH +7298 2433 2 0.423800 23.978985 4.691579 8.410996 # 2 HOH +7299 2433 2 0.423800 24.642492 3.829148 9.634211 # 2 HOH +7300 2434 1 -0.847600 7.694357 13.145828 37.070404 # 1 HOH +7301 2434 2 0.423800 6.817707 13.669679 37.244297 # 2 HOH +7302 2434 2 0.423800 7.614428 12.420154 37.669834 # 2 HOH +7303 2435 1 -0.847600 17.934893 2.791893 37.053417 # 1 HOH +7304 2435 2 0.423800 18.858240 2.934104 37.527424 # 2 HOH +7305 2435 2 0.423800 17.846268 1.757105 36.849445 # 2 HOH +7306 2436 1 -0.847600 15.558995 28.392647 12.582483 # 1 HOH +7307 2436 2 0.423800 14.598481 28.750910 12.934856 # 2 HOH +7308 2436 2 0.423800 15.527375 27.446022 12.946224 # 2 HOH +7309 2437 1 -0.847600 17.322271 8.782498 16.979319 # 1 HOH +7310 2437 2 0.423800 18.278540 8.503193 16.857035 # 2 HOH +7311 2437 2 0.423800 16.922451 8.987361 16.089289 # 2 HOH +7312 2438 1 -0.847600 23.275425 2.165558 2.844299 # 1 HOH +7313 2438 2 0.423800 23.536739 3.058975 3.304014 # 2 HOH +7314 2438 2 0.423800 22.473053 2.385298 2.243287 # 2 HOH +7315 2439 1 -0.847600 4.075015 18.911263 2.066509 # 1 HOH +7316 2439 2 0.423800 4.624238 18.148497 2.315499 # 2 HOH +7317 2439 2 0.423800 3.399888 18.960176 2.795295 # 2 HOH +7318 2440 1 -0.847600 41.399662 12.717441 27.078857 # 1 HOH +7319 2440 2 0.423800 40.898369 12.765536 26.277184 # 2 HOH +7320 2440 2 0.423800 40.777863 12.361678 27.792004 # 2 HOH +7321 2441 1 -0.847600 41.092136 11.431819 10.584172 # 1 HOH +7322 2441 2 0.423800 41.073170 10.623857 9.986286 # 2 HOH +7323 2441 2 0.423800 41.841698 11.173443 11.188993 # 2 HOH +7324 2442 1 -0.847600 38.980701 38.475063 17.191490 # 1 HOH +7325 2442 2 0.423800 38.401138 38.774090 17.936527 # 2 HOH +7326 2442 2 0.423800 38.334427 38.011967 16.627108 # 2 HOH +7327 2443 1 -0.847600 22.278181 28.470644 3.665378 # 1 HOH +7328 2443 2 0.423800 21.327700 28.230246 3.601477 # 2 HOH +7329 2443 2 0.423800 22.672935 28.118399 2.802368 # 2 HOH +7330 2444 1 -0.847600 41.645931 6.190739 35.003868 # 1 HOH +7331 2444 2 0.423800 42.263252 6.980616 35.176640 # 2 HOH +7332 2444 2 0.423800 40.917248 6.485166 34.306553 # 2 HOH +7333 2445 1 -0.847600 33.287983 18.645853 9.951974 # 1 HOH +7334 2445 2 0.423800 33.384441 17.878073 9.321202 # 2 HOH +7335 2445 2 0.423800 33.131924 18.250835 10.866763 # 2 HOH +7336 2446 1 -0.847600 28.698244 32.486015 24.856575 # 1 HOH +7337 2446 2 0.423800 29.156387 33.345066 24.873287 # 2 HOH +7338 2446 2 0.423800 28.781540 32.146679 25.752895 # 2 HOH +7339 2447 1 -0.847600 26.882315 0.994234 2.208847 # 1 HOH +7340 2447 2 0.423800 26.071688 0.474310 2.456630 # 2 HOH +7341 2447 2 0.423800 27.177031 0.468328 1.365368 # 2 HOH +7342 2448 1 -0.847600 9.732951 4.115364 4.201004 # 1 HOH +7343 2448 2 0.423800 9.780612 5.071643 4.333585 # 2 HOH +7344 2448 2 0.423800 10.431109 3.936783 3.478708 # 2 HOH +7345 2449 1 -0.847600 21.741892 21.135464 39.517838 # 1 HOH +7346 2449 2 0.423800 21.809807 20.275129 38.981171 # 2 HOH +7347 2449 2 0.423800 20.861832 21.468306 39.240822 # 2 HOH +7348 2450 1 -0.847600 9.867433 19.456133 14.122755 # 1 HOH +7349 2450 2 0.423800 9.904589 18.500900 14.055923 # 2 HOH +7350 2450 2 0.423800 10.522677 19.719534 13.355741 # 2 HOH +7351 2451 1 -0.847600 4.474283 30.037809 19.927292 # 1 HOH +7352 2451 2 0.423800 4.160163 30.679508 20.705498 # 2 HOH +7353 2451 2 0.423800 4.031602 29.102644 20.213989 # 2 HOH +7354 2452 1 -0.847600 6.184640 19.199144 25.492073 # 1 HOH +7355 2452 2 0.423800 5.262870 19.177031 25.036247 # 2 HOH +7356 2452 2 0.423800 5.945328 19.654734 26.268400 # 2 HOH +7357 2453 1 -0.847600 30.136776 6.955445 18.147089 # 1 HOH +7358 2453 2 0.423800 30.549328 7.473231 18.895109 # 2 HOH +7359 2453 2 0.423800 30.809502 6.581926 17.506310 # 2 HOH +7360 2454 1 -0.847600 16.344566 17.291044 5.940742 # 1 HOH +7361 2454 2 0.423800 17.070007 17.890738 5.563236 # 2 HOH +7362 2454 2 0.423800 15.595228 17.945162 6.246918 # 2 HOH +7363 2455 1 -0.847600 17.166231 7.898204 25.406710 # 1 HOH +7364 2455 2 0.423800 17.584398 8.738790 25.101746 # 2 HOH +7365 2455 2 0.423800 17.045771 7.330246 24.511908 # 2 HOH +7366 2456 1 -0.847600 36.555477 37.207405 4.006551 # 1 HOH +7367 2456 2 0.423800 36.141930 36.297874 3.765729 # 2 HOH +7368 2456 2 0.423800 36.575172 37.169285 5.042840 # 2 HOH +7369 2457 1 -0.847600 11.407183 42.121471 20.646936 # 1 HOH +7370 2457 2 0.423800 10.919305 41.376179 21.144272 # 2 HOH +7371 2457 2 0.423800 11.421479 41.760902 19.660034 # 2 HOH +7372 2458 1 -0.847600 27.053194 25.887857 26.358524 # 1 HOH +7373 2458 2 0.423800 28.001278 26.246143 26.108452 # 2 HOH +7374 2458 2 0.423800 26.578653 25.643858 25.491280 # 2 HOH +7375 2459 1 -0.847600 31.224554 8.079371 36.225613 # 1 HOH +7376 2459 2 0.423800 31.499563 9.084207 36.444389 # 2 HOH +7377 2459 2 0.423800 30.779743 7.826277 37.165379 # 2 HOH +7378 2460 1 -0.847600 6.293231 29.205603 34.906303 # 1 HOH +7379 2460 2 0.423800 5.632995 29.983776 34.540436 # 2 HOH +7380 2460 2 0.423800 6.400879 28.738258 33.992546 # 2 HOH +7381 2461 1 -0.847600 36.470982 39.989262 38.400330 # 1 HOH +7382 2461 2 0.423800 35.763779 40.032024 39.197342 # 2 HOH +7383 2461 2 0.423800 36.934902 40.907757 38.374077 # 2 HOH +7384 2462 1 -0.847600 30.716438 6.172298 1.390863 # 1 HOH +7385 2462 2 0.423800 31.238455 5.731685 2.141593 # 2 HOH +7386 2462 2 0.423800 31.269289 6.235614 0.621095 # 2 HOH +7387 2463 1 -0.847600 12.670572 4.817685 17.015224 # 1 HOH +7388 2463 2 0.423800 12.569461 3.837296 17.293777 # 2 HOH +7389 2463 2 0.423800 12.754741 5.291346 17.820145 # 2 HOH +7390 2464 1 -0.847600 26.512728 29.922976 11.365840 # 1 HOH +7391 2464 2 0.423800 25.763582 29.593863 12.043272 # 2 HOH +7392 2464 2 0.423800 27.117954 29.214108 11.133843 # 2 HOH +7393 2465 1 -0.847600 12.172172 23.221184 30.655445 # 1 HOH +7394 2465 2 0.423800 12.299689 22.419245 31.131859 # 2 HOH +7395 2465 2 0.423800 12.395134 22.836435 29.726189 # 2 HOH +7396 2466 1 -0.847600 28.805571 38.313793 34.322266 # 1 HOH +7397 2466 2 0.423800 28.995943 38.091381 35.295685 # 2 HOH +7398 2466 2 0.423800 29.769512 38.370117 33.883610 # 2 HOH +7399 2467 1 -0.847600 12.126920 20.460823 20.618946 # 1 HOH +7400 2467 2 0.423800 11.338930 20.802311 20.157734 # 2 HOH +7401 2467 2 0.423800 11.739410 19.545427 20.847315 # 2 HOH +7402 2468 1 -0.847600 32.643990 42.961521 30.227068 # 1 HOH +7403 2468 2 0.423800 31.950249 42.590874 29.604445 # 2 HOH +7404 2468 2 0.423800 32.889107 42.302887 30.930113 # 2 HOH +7405 2469 1 -0.847600 8.405274 16.155170 10.342093 # 1 HOH +7406 2469 2 0.423800 8.434859 15.079134 10.630466 # 2 HOH +7407 2469 2 0.423800 9.222203 16.248241 9.868091 # 2 HOH +7408 2470 1 -0.847600 33.052895 28.532625 2.091642 # 1 HOH +7409 2470 2 0.423800 33.656319 27.792524 2.403675 # 2 HOH +7410 2470 2 0.423800 32.292820 28.646347 2.682714 # 2 HOH +7411 2471 1 -0.847600 36.747295 35.488667 31.750889 # 1 HOH +7412 2471 2 0.423800 36.258144 35.917938 30.909016 # 2 HOH +7413 2471 2 0.423800 36.417839 34.569946 31.678030 # 2 HOH +7414 2472 1 -0.847600 38.567940 10.671376 4.890434 # 1 HOH +7415 2472 2 0.423800 38.195702 9.810814 5.011111 # 2 HOH +7416 2472 2 0.423800 39.199165 10.828335 5.736470 # 2 HOH +7417 2473 1 -0.847600 7.602189 5.894774 42.158371 # 1 HOH +7418 2473 2 0.423800 7.843817 4.961135 42.346474 # 2 HOH +7419 2473 2 0.423800 8.380213 6.363579 41.959747 # 2 HOH +7420 2474 1 -0.847600 41.003387 25.550566 41.251011 # 1 HOH +7421 2474 2 0.423800 41.698994 26.268780 41.211258 # 2 HOH +7422 2474 2 0.423800 40.487602 25.600519 42.200947 # 2 HOH +7423 2475 1 -0.847600 0.716364 34.493404 0.649692 # 1 HOH +7424 2475 2 0.423800 1.357142 34.560509 1.386851 # 2 HOH +7425 2475 2 0.423800 0.345432 33.603527 0.751808 # 2 HOH +7426 2476 1 -0.847600 17.781237 41.695824 20.710167 # 1 HOH +7427 2476 2 0.423800 17.957493 40.945820 21.303852 # 2 HOH +7428 2476 2 0.423800 17.737310 42.470650 21.245419 # 2 HOH +7429 2477 1 -0.847600 3.758306 37.164509 34.594742 # 1 HOH +7430 2477 2 0.423800 3.495181 36.730789 33.725945 # 2 HOH +7431 2477 2 0.423800 4.616538 37.588898 34.472980 # 2 HOH +7432 2478 1 -0.847600 -0.222112 42.267342 28.233942 # 1 HOH +7433 2478 2 0.423800 -0.262432 42.444599 29.254377 # 2 HOH +7434 2478 2 0.423800 0.426545 42.991550 27.900700 # 2 HOH +7435 2479 1 -0.847600 38.414642 35.587849 22.319624 # 1 HOH +7436 2479 2 0.423800 39.078411 35.557087 21.570940 # 2 HOH +7437 2479 2 0.423800 38.954300 36.187958 23.005461 # 2 HOH +7438 2480 1 -0.847600 2.181916 31.676119 5.016529 # 1 HOH +7439 2480 2 0.423800 2.803223 31.978662 5.780293 # 2 HOH +7440 2480 2 0.423800 2.076095 30.613968 5.051954 # 2 HOH +7441 2481 1 -0.847600 5.369135 14.676670 42.778526 # 1 HOH +7442 2481 2 0.423800 4.997796 14.702734 41.876682 # 2 HOH +7443 2481 2 0.423800 5.183009 13.725535 43.123619 # 2 HOH +7444 2482 1 -0.847600 27.332712 32.637333 10.166407 # 1 HOH +7445 2482 2 0.423800 26.965530 31.734632 10.410738 # 2 HOH +7446 2482 2 0.423800 26.557924 33.310486 9.893934 # 2 HOH +7447 2483 1 -0.847600 31.224596 31.666414 18.642456 # 1 HOH +7448 2483 2 0.423800 31.662495 31.743855 17.752636 # 2 HOH +7449 2483 2 0.423800 31.778383 32.369938 19.164291 # 2 HOH +7450 2484 1 -0.847600 25.795734 11.883130 17.764658 # 1 HOH +7451 2484 2 0.423800 26.508696 11.421932 18.377691 # 2 HOH +7452 2484 2 0.423800 25.168434 11.129771 17.689522 # 2 HOH +7453 2485 1 -0.847600 25.670887 30.008549 33.808147 # 1 HOH +7454 2485 2 0.423800 24.818136 30.348001 33.595108 # 2 HOH +7455 2485 2 0.423800 26.203817 30.714933 34.341812 # 2 HOH +7456 2486 1 -0.847600 31.679041 43.546108 2.205840 # 1 HOH +7457 2486 2 0.423800 32.651241 43.479374 1.971419 # 2 HOH +7458 2486 2 0.423800 31.621281 43.491467 3.224403 # 2 HOH +7459 2487 1 -0.847600 2.975485 0.288132 6.277242 # 1 HOH +7460 2487 2 0.423800 2.564345 -0.420126 6.924778 # 2 HOH +7461 2487 2 0.423800 4.001046 0.252434 6.365912 # 2 HOH +7462 2488 1 -0.847600 43.398464 10.769923 31.533316 # 1 HOH +7463 2488 2 0.423800 42.624943 11.437790 31.496986 # 2 HOH +7464 2488 2 0.423800 42.923100 9.872784 31.632685 # 2 HOH +7465 2489 1 -0.847600 38.827541 37.234669 8.221192 # 1 HOH +7466 2489 2 0.423800 39.776608 37.576180 8.181755 # 2 HOH +7467 2489 2 0.423800 38.546429 37.296234 9.144986 # 2 HOH +7468 2490 1 -0.847600 42.308044 3.021324 7.571116 # 1 HOH +7469 2490 2 0.423800 42.828087 3.677384 7.070744 # 2 HOH +7470 2490 2 0.423800 42.689701 2.077034 7.295993 # 2 HOH +7471 2491 1 -0.847600 3.660563 13.727678 34.073921 # 1 HOH +7472 2491 2 0.423800 2.867808 13.396152 33.508556 # 2 HOH +7473 2491 2 0.423800 3.958590 12.967117 34.599205 # 2 HOH +7474 2492 1 -0.847600 1.273298 38.071781 41.746418 # 1 HOH +7475 2492 2 0.423800 0.699029 37.628105 42.302006 # 2 HOH +7476 2492 2 0.423800 1.957334 38.601643 42.390446 # 2 HOH +7477 2493 1 -0.847600 6.429461 15.951713 15.245083 # 1 HOH +7478 2493 2 0.423800 6.885020 15.217358 14.717827 # 2 HOH +7479 2493 2 0.423800 6.162235 15.449471 16.054544 # 2 HOH +7480 2494 1 -0.847600 31.063236 19.999943 9.979937 # 1 HOH +7481 2494 2 0.423800 32.026501 19.689350 10.064062 # 2 HOH +7482 2494 2 0.423800 31.172228 20.989508 9.868849 # 2 HOH +7483 2495 1 -0.847600 36.417805 28.679571 9.267034 # 1 HOH +7484 2495 2 0.423800 36.675419 29.032616 10.138786 # 2 HOH +7485 2495 2 0.423800 35.526058 29.038485 9.213906 # 2 HOH +7486 2496 1 -0.847600 24.583685 37.844437 15.937080 # 1 HOH +7487 2496 2 0.423800 24.220587 37.915127 14.946034 # 2 HOH +7488 2496 2 0.423800 25.330969 37.222328 15.946263 # 2 HOH +7489 2497 1 -0.847600 29.692156 16.518101 1.752160 # 1 HOH +7490 2497 2 0.423800 30.752382 16.237848 1.876815 # 2 HOH +7491 2497 2 0.423800 29.458960 16.792322 0.714440 # 2 HOH +7492 2498 1 -0.847600 40.181690 26.234734 8.771119 # 1 HOH +7493 2498 2 0.423800 40.704231 25.611547 9.325729 # 2 HOH +7494 2498 2 0.423800 40.407772 25.947638 7.881062 # 2 HOH +7495 2499 1 -0.847600 14.808565 16.988461 30.928820 # 1 HOH +7496 2499 2 0.423800 14.808246 17.575577 31.674797 # 2 HOH +7497 2499 2 0.423800 14.070915 17.294079 30.330299 # 2 HOH +7498 2500 1 -0.847600 14.652302 4.878561 13.776070 # 1 HOH +7499 2500 2 0.423800 15.324326 4.959993 13.059560 # 2 HOH +7500 2500 2 0.423800 14.844524 5.444576 14.557730 # 2 HOH +7501 2501 1 -0.847600 9.877604 5.125049 18.788971 # 1 HOH +7502 2501 2 0.423800 10.420039 5.867619 18.281366 # 2 HOH +7503 2501 2 0.423800 9.619486 5.327790 19.738892 # 2 HOH +7504 2502 1 -0.847600 32.007507 30.283737 34.246265 # 1 HOH +7505 2502 2 0.423800 32.687611 30.981182 34.104717 # 2 HOH +7506 2502 2 0.423800 31.982979 29.593248 33.469269 # 2 HOH +7507 2503 1 -0.847600 37.957104 15.091735 10.137104 # 1 HOH +7508 2503 2 0.423800 37.016102 14.763223 10.105539 # 2 HOH +7509 2503 2 0.423800 38.043598 15.849633 10.733603 # 2 HOH +7510 2504 1 -0.847600 14.359865 8.967910 10.141945 # 1 HOH +7511 2504 2 0.423800 14.315003 8.820257 9.049188 # 2 HOH +7512 2504 2 0.423800 14.363497 9.931292 10.223043 # 2 HOH +7513 2505 1 -0.847600 20.789125 24.712452 24.894810 # 1 HOH +7514 2505 2 0.423800 20.913794 24.017014 24.130127 # 2 HOH +7515 2505 2 0.423800 21.770014 25.063663 24.867178 # 2 HOH +7516 2506 1 -0.847600 6.112813 38.870461 7.544545 # 1 HOH +7517 2506 2 0.423800 6.495020 39.318409 8.498536 # 2 HOH +7518 2506 2 0.423800 6.808208 39.099667 6.839765 # 2 HOH +7519 2507 1 -0.847600 21.651302 18.307892 26.133770 # 1 HOH +7520 2507 2 0.423800 21.768820 19.216087 26.617458 # 2 HOH +7521 2507 2 0.423800 21.444294 17.737230 26.900923 # 2 HOH +7522 2508 1 -0.847600 3.126539 39.394127 0.735602 # 1 HOH +7523 2508 2 0.423800 3.987999 38.967751 1.034668 # 2 HOH +7524 2508 2 0.423800 3.138582 40.262066 1.088583 # 2 HOH +7525 2509 1 -0.847600 31.523361 1.653224 38.135509 # 1 HOH +7526 2509 2 0.423800 32.381241 1.697621 37.534252 # 2 HOH +7527 2509 2 0.423800 31.221880 2.477448 37.865570 # 2 HOH +7528 2510 1 -0.847600 23.660032 8.439607 39.735523 # 1 HOH +7529 2510 2 0.423800 24.578125 8.871305 39.510666 # 2 HOH +7530 2510 2 0.423800 23.873480 7.435918 40.017830 # 2 HOH +7531 2511 1 -0.847600 8.208410 18.217331 42.713535 # 1 HOH +7532 2511 2 0.423800 7.719553 18.796087 43.365818 # 2 HOH +7533 2511 2 0.423800 7.568163 17.779646 42.133144 # 2 HOH +7534 2512 1 -0.847600 14.997595 42.992847 23.227453 # 1 HOH +7535 2512 2 0.423800 15.103663 43.405125 24.137394 # 2 HOH +7536 2512 2 0.423800 14.939875 42.055679 23.531450 # 2 HOH +7537 2513 1 -0.847600 40.666592 7.558493 13.087738 # 1 HOH +7538 2513 2 0.423800 41.751911 7.753780 13.047391 # 2 HOH +7539 2513 2 0.423800 40.493126 6.539828 13.037537 # 2 HOH +7540 2514 1 -0.847600 13.311882 39.100693 16.453970 # 1 HOH +7541 2514 2 0.423800 12.481718 39.095516 15.870336 # 2 HOH +7542 2514 2 0.423800 13.968592 39.460835 15.876448 # 2 HOH +7543 2515 1 -0.847600 32.928459 12.231666 9.094866 # 1 HOH +7544 2515 2 0.423800 33.228775 12.429944 10.007387 # 2 HOH +7545 2515 2 0.423800 32.016701 11.811085 9.237864 # 2 HOH +7546 2516 1 -0.847600 6.668077 35.536770 6.819393 # 1 HOH +7547 2516 2 0.423800 6.808640 36.047680 5.968562 # 2 HOH +7548 2516 2 0.423800 5.691785 35.512074 6.876397 # 2 HOH +7549 2517 1 -0.847600 35.873215 36.100857 12.906242 # 1 HOH +7550 2517 2 0.423800 35.173779 35.872498 13.573692 # 2 HOH +7551 2517 2 0.423800 36.330524 35.182518 12.765876 # 2 HOH +7552 2518 1 -0.847600 42.689457 25.798784 26.872599 # 1 HOH +7553 2518 2 0.423800 43.174587 26.545042 26.493647 # 2 HOH +7554 2518 2 0.423800 42.830257 25.954424 27.915218 # 2 HOH +7555 2519 1 -0.847600 19.157553 32.472385 1.952767 # 1 HOH +7556 2519 2 0.423800 20.122740 32.679249 2.106888 # 2 HOH +7557 2519 2 0.423800 18.848001 33.291878 1.539487 # 2 HOH +7558 2520 1 -0.847600 17.058115 5.072405 2.650346 # 1 HOH +7559 2520 2 0.423800 16.145262 4.579883 2.761624 # 2 HOH +7560 2520 2 0.423800 16.809988 5.968175 2.230567 # 2 HOH +7561 2521 1 -0.847600 18.113966 28.825245 2.248088 # 1 HOH +7562 2521 2 0.423800 18.509579 29.124100 3.220431 # 2 HOH +7563 2521 2 0.423800 17.380404 28.265625 2.639946 # 2 HOH +7564 2522 1 -0.847600 8.973282 36.312851 37.391151 # 1 HOH +7565 2522 2 0.423800 9.802966 35.851700 37.646523 # 2 HOH +7566 2522 2 0.423800 9.285390 37.153526 36.909233 # 2 HOH +7567 2523 1 -0.847600 28.585646 10.438524 13.632730 # 1 HOH +7568 2523 2 0.423800 27.920668 11.109171 13.061311 # 2 HOH +7569 2523 2 0.423800 27.897257 9.899272 13.962340 # 2 HOH +7570 2524 1 -0.847600 15.632062 22.950933 25.263529 # 1 HOH +7571 2524 2 0.423800 14.607987 22.749512 25.290545 # 2 HOH +7572 2524 2 0.423800 15.960833 22.674828 24.337940 # 2 HOH +7573 2525 1 -0.847600 11.857308 42.722000 23.421261 # 1 HOH +7574 2525 2 0.423800 11.685646 42.501987 22.471107 # 2 HOH +7575 2525 2 0.423800 12.603598 43.396214 23.440794 # 2 HOH +7576 2526 1 -0.847600 3.138366 21.200666 6.939373 # 1 HOH +7577 2526 2 0.423800 3.584071 21.357388 7.745537 # 2 HOH +7578 2526 2 0.423800 2.116887 21.237974 7.028932 # 2 HOH +7579 2527 1 -0.847600 37.968868 3.211736 9.104590 # 1 HOH +7580 2527 2 0.423800 37.272160 2.611353 8.786330 # 2 HOH +7581 2527 2 0.423800 38.596554 3.089361 8.359945 # 2 HOH +7582 2528 1 -0.847600 41.054482 18.404137 33.047241 # 1 HOH +7583 2528 2 0.423800 40.648399 19.306490 33.089863 # 2 HOH +7584 2528 2 0.423800 40.549850 17.762817 33.647179 # 2 HOH +7585 2529 1 -0.847600 26.167660 42.725368 1.692316 # 1 HOH +7586 2529 2 0.423800 26.839949 42.841839 2.506717 # 2 HOH +7587 2529 2 0.423800 26.399841 41.812729 1.271428 # 2 HOH +7588 2530 1 -0.847600 24.113134 12.943770 15.398515 # 1 HOH +7589 2530 2 0.423800 24.294144 13.477233 16.250240 # 2 HOH +7590 2530 2 0.423800 24.724314 13.310854 14.690429 # 2 HOH +7591 2531 1 -0.847600 28.090803 34.666061 7.843818 # 1 HOH +7592 2531 2 0.423800 27.695478 33.785759 7.423094 # 2 HOH +7593 2531 2 0.423800 27.216352 35.104137 8.072498 # 2 HOH +7594 2532 1 -0.847600 23.939028 32.875111 21.638161 # 1 HOH +7595 2532 2 0.423800 23.493011 33.721066 21.380398 # 2 HOH +7596 2532 2 0.423800 24.617163 33.165810 22.343977 # 2 HOH +7597 2533 1 -0.847600 17.959606 2.252348 20.889254 # 1 HOH +7598 2533 2 0.423800 18.945068 2.360540 20.431721 # 2 HOH +7599 2533 2 0.423800 17.422855 1.725354 20.175411 # 2 HOH +7600 2534 1 -0.847600 3.734119 15.701673 17.378223 # 1 HOH +7601 2534 2 0.423800 4.476522 16.018969 18.025835 # 2 HOH +7602 2534 2 0.423800 4.087900 14.906008 16.852989 # 2 HOH +7603 2535 1 -0.847600 29.599823 29.181065 30.988361 # 1 HOH +7604 2535 2 0.423800 28.687082 28.821772 30.746567 # 2 HOH +7605 2535 2 0.423800 29.606892 30.104593 30.792788 # 2 HOH +7606 2536 1 -0.847600 41.331341 6.988093 38.669353 # 1 HOH +7607 2536 2 0.423800 41.454395 7.216375 39.651409 # 2 HOH +7608 2536 2 0.423800 40.403107 7.363529 38.288483 # 2 HOH +7609 2537 1 -0.847600 34.620628 39.161259 30.735821 # 1 HOH +7610 2537 2 0.423800 34.575871 38.188480 30.753483 # 2 HOH +7611 2537 2 0.423800 35.600304 39.470474 30.494841 # 2 HOH +7612 2538 1 -0.847600 23.118580 21.462923 33.396675 # 1 HOH +7613 2538 2 0.423800 23.324203 21.070768 32.442368 # 2 HOH +7614 2538 2 0.423800 23.956787 21.793673 33.755478 # 2 HOH +7615 2539 1 -0.847600 24.492159 8.667747 6.019622 # 1 HOH +7616 2539 2 0.423800 24.808775 9.525794 5.614974 # 2 HOH +7617 2539 2 0.423800 24.318815 8.895016 6.926704 # 2 HOH +7618 2540 1 -0.847600 9.349227 39.344311 41.329765 # 1 HOH +7619 2540 2 0.423800 8.992203 39.254223 40.387218 # 2 HOH +7620 2540 2 0.423800 8.471404 39.608002 41.827217 # 2 HOH +7621 2541 1 -0.847600 43.145660 31.491535 28.835028 # 1 HOH +7622 2541 2 0.423800 42.157291 31.376188 28.921907 # 2 HOH +7623 2541 2 0.423800 43.474480 31.301056 29.788372 # 2 HOH +7624 2542 1 -0.847600 11.067367 38.633518 4.935238 # 1 HOH +7625 2542 2 0.423800 11.817860 39.068985 5.477104 # 2 HOH +7626 2542 2 0.423800 11.581677 38.178467 4.208212 # 2 HOH +7627 2543 1 -0.847600 22.922573 32.379772 18.267279 # 1 HOH +7628 2543 2 0.423800 23.255865 33.027210 17.663008 # 2 HOH +7629 2543 2 0.423800 21.939714 32.424698 18.059771 # 2 HOH +7630 2544 1 -0.847600 4.785357 39.873219 2.801334 # 1 HOH +7631 2544 2 0.423800 4.806004 40.779133 3.159410 # 2 HOH +7632 2544 2 0.423800 5.354301 39.301060 3.420296 # 2 HOH +7633 2545 1 -0.847600 30.427715 45.307796 0.434590 # 1 HOH +7634 2545 2 0.423800 31.122391 46.039429 0.628008 # 2 HOH +7635 2545 2 0.423800 30.685698 44.469788 0.928600 # 2 HOH +7636 2546 1 -0.847600 11.392526 17.836702 21.393377 # 1 HOH +7637 2546 2 0.423800 12.015464 17.436403 20.759037 # 2 HOH +7638 2546 2 0.423800 10.915849 17.140015 21.964756 # 2 HOH +7639 2547 1 -0.847600 41.759472 6.198602 28.466787 # 1 HOH +7640 2547 2 0.423800 41.160675 6.802304 28.918404 # 2 HOH +7641 2547 2 0.423800 42.619083 6.656806 28.566828 # 2 HOH +7642 2548 1 -0.847600 42.960175 1.328470 30.979364 # 1 HOH +7643 2548 2 0.423800 42.287647 1.051425 31.646200 # 2 HOH +7644 2548 2 0.423800 43.198292 2.181794 31.361513 # 2 HOH +7645 2549 1 -0.847600 31.271196 21.393957 2.111296 # 1 HOH +7646 2549 2 0.423800 31.431702 20.502451 2.741545 # 2 HOH +7647 2549 2 0.423800 30.306097 21.279608 1.896631 # 2 HOH +7648 2550 1 -0.847600 16.869070 24.689905 14.865720 # 1 HOH +7649 2550 2 0.423800 16.907742 24.593258 15.879112 # 2 HOH +7650 2550 2 0.423800 17.802938 25.092112 14.791663 # 2 HOH +7651 2551 1 -0.847600 26.128954 25.175236 35.453571 # 1 HOH +7652 2551 2 0.423800 25.828800 25.735842 36.157352 # 2 HOH +7653 2551 2 0.423800 26.080505 25.834787 34.638134 # 2 HOH +7654 2552 1 -0.847600 6.881081 28.884539 16.142006 # 1 HOH +7655 2552 2 0.423800 7.855801 28.814798 16.047131 # 2 HOH +7656 2552 2 0.423800 6.728791 28.531649 17.122732 # 2 HOH +7657 2553 1 -0.847600 32.963085 29.553537 20.264696 # 1 HOH +7658 2553 2 0.423800 32.399384 30.230848 20.711758 # 2 HOH +7659 2553 2 0.423800 33.860161 30.018787 19.971891 # 2 HOH +7660 2554 1 -0.847600 22.795153 16.050711 14.340319 # 1 HOH +7661 2554 2 0.423800 23.741705 16.301527 14.754365 # 2 HOH +7662 2554 2 0.423800 22.266562 16.718748 14.856773 # 2 HOH +7663 2555 1 -0.847600 33.127396 34.588341 4.153761 # 1 HOH +7664 2555 2 0.423800 34.056259 34.391224 3.739959 # 2 HOH +7665 2555 2 0.423800 32.472172 33.878700 3.703054 # 2 HOH +7666 2556 1 -0.847600 10.578825 21.415989 2.100127 # 1 HOH +7667 2556 2 0.423800 10.861917 21.504026 1.119940 # 2 HOH +7668 2556 2 0.423800 11.041785 20.526142 2.379322 # 2 HOH +7669 2557 1 -0.847600 38.240391 9.130168 12.393373 # 1 HOH +7670 2557 2 0.423800 37.491192 8.978842 13.039783 # 2 HOH +7671 2557 2 0.423800 39.030972 8.527985 12.712787 # 2 HOH +7672 2558 1 -0.847600 2.613912 17.996883 21.895674 # 1 HOH +7673 2558 2 0.423800 1.799174 17.410198 21.801970 # 2 HOH +7674 2558 2 0.423800 2.366653 18.872463 21.475340 # 2 HOH +7675 2559 1 -0.847600 18.208645 30.552876 32.229774 # 1 HOH +7676 2559 2 0.423800 18.364418 30.469360 33.276279 # 2 HOH +7677 2559 2 0.423800 18.252439 31.599859 32.073547 # 2 HOH +7678 2560 1 -0.847600 13.977896 12.652674 35.985119 # 1 HOH +7679 2560 2 0.423800 13.492401 13.411549 35.518303 # 2 HOH +7680 2560 2 0.423800 14.941422 12.718159 35.621490 # 2 HOH +7681 2561 1 -0.847600 15.798651 16.072718 42.353706 # 1 HOH +7682 2561 2 0.423800 15.036208 15.650015 42.830956 # 2 HOH +7683 2561 2 0.423800 15.253636 16.668556 41.692318 # 2 HOH +7684 2562 1 -0.847600 22.960896 32.792717 28.833122 # 1 HOH +7685 2562 2 0.423800 23.525164 33.418903 29.408176 # 2 HOH +7686 2562 2 0.423800 23.523905 32.640999 28.001930 # 2 HOH +7687 2563 1 -0.847600 22.317284 12.799541 19.075539 # 1 HOH +7688 2563 2 0.423800 21.931061 12.868090 20.009750 # 2 HOH +7689 2563 2 0.423800 23.261795 13.236324 19.120970 # 2 HOH +7690 2564 1 -0.847600 21.975750 28.721384 27.700027 # 1 HOH +7691 2564 2 0.423800 21.996443 29.488174 27.018324 # 2 HOH +7692 2564 2 0.423800 21.971045 29.308929 28.591547 # 2 HOH +7693 2565 1 -0.847600 40.971363 31.770695 16.122234 # 1 HOH +7694 2565 2 0.423800 40.683449 31.948788 17.000519 # 2 HOH +7695 2565 2 0.423800 40.311779 32.324314 15.585147 # 2 HOH +7696 2566 1 -0.847600 32.380939 24.158562 39.053219 # 1 HOH +7697 2566 2 0.423800 31.564798 24.174612 39.542492 # 2 HOH +7698 2566 2 0.423800 31.999386 24.250221 38.149288 # 2 HOH +7699 2567 1 -0.847600 21.873735 43.456703 35.649132 # 1 HOH +7700 2567 2 0.423800 22.543736 43.633743 34.865940 # 2 HOH +7701 2567 2 0.423800 21.972025 44.250221 36.245708 # 2 HOH +7702 2568 1 -0.847600 17.994143 21.821091 8.358162 # 1 HOH +7703 2568 2 0.423800 17.961863 22.799177 8.694846 # 2 HOH +7704 2568 2 0.423800 18.944912 21.668165 8.071650 # 2 HOH +7705 2569 1 -0.847600 18.997684 12.229189 22.870687 # 1 HOH +7706 2569 2 0.423800 18.871628 11.417202 23.309931 # 2 HOH +7707 2569 2 0.423800 18.914986 12.851747 23.593815 # 2 HOH +7708 2570 1 -0.847600 0.662786 39.741161 13.712563 # 1 HOH +7709 2570 2 0.423800 0.527169 40.541519 14.001305 # 2 HOH +7710 2570 2 0.423800 0.039653 39.134857 14.077440 # 2 HOH +7711 2571 1 -0.847600 13.180417 23.795000 35.054745 # 1 HOH +7712 2571 2 0.423800 13.929089 23.954599 34.441639 # 2 HOH +7713 2571 2 0.423800 13.389521 22.932348 35.486664 # 2 HOH +7714 2572 1 -0.847600 3.214151 24.022179 17.643555 # 1 HOH +7715 2572 2 0.423800 2.525660 23.788408 18.289307 # 2 HOH +7716 2572 2 0.423800 3.935535 24.529377 18.243797 # 2 HOH +7717 2573 1 -0.847600 34.672367 31.626665 34.795544 # 1 HOH +7718 2573 2 0.423800 35.186829 30.893621 34.343204 # 2 HOH +7719 2573 2 0.423800 35.421631 31.749439 35.423809 # 2 HOH +7720 2574 1 -0.847600 33.995972 20.388933 -0.401751 # 1 HOH +7721 2574 2 0.423800 33.760223 21.198338 0.131939 # 2 HOH +7722 2574 2 0.423800 34.082737 20.844624 -1.312256 # 2 HOH +7723 2575 1 -0.847600 6.286314 42.418316 16.055923 # 1 HOH +7724 2575 2 0.423800 6.313768 42.072357 17.048708 # 2 HOH +7725 2575 2 0.423800 5.985176 43.364994 16.205290 # 2 HOH +7726 2576 1 -0.847600 26.715441 45.138130 23.616184 # 1 HOH +7727 2576 2 0.423800 27.158871 45.358524 24.507929 # 2 HOH +7728 2576 2 0.423800 25.822901 44.857105 23.898792 # 2 HOH +7729 2577 1 -0.847600 11.758759 2.000482 32.932625 # 1 HOH +7730 2577 2 0.423800 11.551401 2.239640 33.865955 # 2 HOH +7731 2577 2 0.423800 11.763945 0.953708 33.018414 # 2 HOH +7732 2578 1 -0.847600 31.380808 10.452443 13.646326 # 1 HOH +7733 2578 2 0.423800 31.371977 9.687630 13.026291 # 2 HOH +7734 2578 2 0.423800 30.411236 10.634448 13.914379 # 2 HOH +7735 2579 1 -0.847600 36.034988 8.795296 14.035850 # 1 HOH +7736 2579 2 0.423800 35.441387 9.069772 14.830441 # 2 HOH +7737 2579 2 0.423800 35.784565 7.816782 14.036709 # 2 HOH +7738 2580 1 -0.847600 31.143873 24.341084 41.697540 # 1 HOH +7739 2580 2 0.423800 31.141764 25.351419 41.851814 # 2 HOH +7740 2580 2 0.423800 32.014919 24.066725 42.190002 # 2 HOH +7741 2581 1 -0.847600 11.188018 37.252628 7.500079 # 1 HOH +7742 2581 2 0.423800 11.881455 36.793892 7.180698 # 2 HOH +7743 2581 2 0.423800 10.655418 37.592312 6.759247 # 2 HOH +7744 2582 1 -0.847600 37.468609 15.183349 39.506626 # 1 HOH +7745 2582 2 0.423800 37.234322 14.720488 38.605427 # 2 HOH +7746 2582 2 0.423800 38.195568 15.917776 39.345085 # 2 HOH +7747 2583 1 -0.847600 34.338444 44.037666 1.380016 # 1 HOH +7748 2583 2 0.423800 33.892818 44.956005 1.281036 # 2 HOH +7749 2583 2 0.423800 35.303452 44.204834 1.558383 # 2 HOH +7750 2584 1 -0.847600 24.544161 2.678176 20.740221 # 1 HOH +7751 2584 2 0.423800 23.686619 2.120780 21.016232 # 2 HOH +7752 2584 2 0.423800 24.223553 3.592079 20.382120 # 2 HOH +7753 2585 1 -0.847600 2.520287 11.738971 5.096933 # 1 HOH +7754 2585 2 0.423800 2.780570 12.441157 4.454447 # 2 HOH +7755 2585 2 0.423800 3.172868 11.725849 5.760635 # 2 HOH +7756 2586 1 -0.847600 19.819540 30.661837 12.290115 # 1 HOH +7757 2586 2 0.423800 19.273830 31.512255 12.229038 # 2 HOH +7758 2586 2 0.423800 20.487432 30.816370 13.098477 # 2 HOH +7759 2587 1 -0.847600 24.360851 18.318092 40.436218 # 1 HOH +7760 2587 2 0.423800 24.806219 19.289118 40.428699 # 2 HOH +7761 2587 2 0.423800 24.832993 17.870508 41.143776 # 2 HOH +7762 2588 1 -0.847600 32.905964 33.125996 25.135561 # 1 HOH +7763 2588 2 0.423800 32.303841 32.487915 25.627766 # 2 HOH +7764 2588 2 0.423800 33.625023 32.462471 24.832052 # 2 HOH +7765 2589 1 -0.847600 5.252184 1.547133 22.111021 # 1 HOH +7766 2589 2 0.423800 4.986077 1.618373 21.121038 # 2 HOH +7767 2589 2 0.423800 6.282961 1.393305 22.141504 # 2 HOH +7768 2590 1 -0.847600 39.501091 15.842187 27.053129 # 1 HOH +7769 2590 2 0.423800 39.797497 16.686430 27.551867 # 2 HOH +7770 2590 2 0.423800 39.076790 15.288167 27.728302 # 2 HOH +7771 2591 1 -0.847600 36.364006 42.858772 20.353365 # 1 HOH +7772 2591 2 0.423800 37.225025 42.685455 20.840977 # 2 HOH +7773 2591 2 0.423800 35.937946 41.996777 20.201002 # 2 HOH +7774 2592 1 -0.847600 38.305408 31.448202 4.595856 # 1 HOH +7775 2592 2 0.423800 37.628330 31.323748 5.327010 # 2 HOH +7776 2592 2 0.423800 38.133671 32.491295 4.509891 # 2 HOH +7777 2593 1 -0.847600 7.134093 36.605766 25.086136 # 1 HOH +7778 2593 2 0.423800 6.937828 37.523609 24.699659 # 2 HOH +7779 2593 2 0.423800 7.328689 36.771606 26.117857 # 2 HOH +7780 2594 1 -0.847600 1.313222 4.093767 16.947159 # 1 HOH +7781 2594 2 0.423800 1.372757 3.055128 16.906902 # 2 HOH +7782 2594 2 0.423800 1.681709 4.402763 16.025143 # 2 HOH +7783 2595 1 -0.847600 15.443138 14.187951 5.617071 # 1 HOH +7784 2595 2 0.423800 15.658557 15.102143 5.801250 # 2 HOH +7785 2595 2 0.423800 16.244663 13.882804 5.038461 # 2 HOH +7786 2596 1 -0.847600 30.806110 38.145855 23.604168 # 1 HOH +7787 2596 2 0.423800 31.242226 37.854424 24.519342 # 2 HOH +7788 2596 2 0.423800 30.710661 39.184578 23.743896 # 2 HOH +7789 2597 1 -0.847600 36.846420 42.215809 35.962433 # 1 HOH +7790 2597 2 0.423800 37.538876 42.607700 35.438629 # 2 HOH +7791 2597 2 0.423800 36.906441 42.678528 36.906792 # 2 HOH +7792 2598 1 -0.847600 28.222342 37.216362 20.258467 # 1 HOH +7793 2598 2 0.423800 27.539097 36.507439 20.186378 # 2 HOH +7794 2598 2 0.423800 28.914404 36.882660 19.644083 # 2 HOH +7795 2599 1 -0.847600 23.463999 8.775431 33.648468 # 1 HOH +7796 2599 2 0.423800 23.045992 9.206362 34.441257 # 2 HOH +7797 2599 2 0.423800 23.333696 9.547121 32.999828 # 2 HOH +7798 2600 1 -0.847600 17.691584 24.584120 0.237029 # 1 HOH +7799 2600 2 0.423800 18.606400 24.669655 0.645044 # 2 HOH +7800 2600 2 0.423800 17.510202 25.480345 -0.167056 # 2 HOH +7801 2601 1 -0.847600 12.000241 25.145594 1.514305 # 1 HOH +7802 2601 2 0.423800 12.381804 26.098925 1.370213 # 2 HOH +7803 2601 2 0.423800 11.074451 25.147486 1.084927 # 2 HOH +7804 2602 1 -0.847600 15.611015 8.392198 29.011045 # 1 HOH +7805 2602 2 0.423800 14.560877 8.501511 29.202852 # 2 HOH +7806 2602 2 0.423800 16.078341 9.352995 29.243982 # 2 HOH +7807 2603 1 -0.847600 9.529036 7.036489 40.472523 # 1 HOH +7808 2603 2 0.423800 10.535430 7.172875 40.732494 # 2 HOH +7809 2603 2 0.423800 9.439075 6.089622 40.144997 # 2 HOH +7810 2604 1 -0.847600 37.916573 23.510279 13.841311 # 1 HOH +7811 2604 2 0.423800 38.166267 22.647480 14.375253 # 2 HOH +7812 2604 2 0.423800 38.569809 23.407036 13.066761 # 2 HOH +7813 2605 1 -0.847600 18.983990 31.450247 22.557823 # 1 HOH +7814 2605 2 0.423800 19.728447 31.968693 22.239456 # 2 HOH +7815 2605 2 0.423800 18.519926 31.141121 21.761658 # 2 HOH +7816 2606 1 -0.847600 7.061831 23.860401 5.040126 # 1 HOH +7817 2606 2 0.423800 7.612331 23.327852 4.367233 # 2 HOH +7818 2606 2 0.423800 6.090125 23.495005 4.993593 # 2 HOH +7819 2607 1 -0.847600 1.311040 13.224075 23.775553 # 1 HOH +7820 2607 2 0.423800 1.343213 14.276587 23.739424 # 2 HOH +7821 2607 2 0.423800 2.311843 13.200232 23.587456 # 2 HOH +7822 2608 1 -0.847600 29.339306 3.406980 21.096889 # 1 HOH +7823 2608 2 0.423800 29.398148 4.351302 21.458817 # 2 HOH +7824 2608 2 0.423800 29.090250 3.623115 20.118526 # 2 HOH +7825 2609 1 -0.847600 38.150631 29.806242 41.063362 # 1 HOH +7826 2609 2 0.423800 38.467442 30.300873 41.841404 # 2 HOH +7827 2609 2 0.423800 37.464855 30.524332 40.619438 # 2 HOH +7828 2610 1 -0.847600 40.468430 11.920252 24.384689 # 1 HOH +7829 2610 2 0.423800 40.873241 11.047219 24.701084 # 2 HOH +7830 2610 2 0.423800 39.481667 11.833452 24.724548 # 2 HOH +7831 2611 1 -0.847600 34.928326 31.197681 11.306897 # 1 HOH +7832 2611 2 0.423800 34.599525 30.288954 11.208495 # 2 HOH +7833 2611 2 0.423800 35.937473 31.099068 11.433548 # 2 HOH +7834 2612 1 -0.847600 7.519052 24.314568 27.543701 # 1 HOH +7835 2612 2 0.423800 6.553723 24.669594 27.288136 # 2 HOH +7836 2612 2 0.423800 7.966119 25.219393 27.834352 # 2 HOH +7837 2613 1 -0.847600 25.684498 19.547070 14.190421 # 1 HOH +7838 2613 2 0.423800 25.413553 19.146448 13.274132 # 2 HOH +7839 2613 2 0.423800 26.589287 19.113155 14.341975 # 2 HOH +7840 2614 1 -0.847600 33.104290 37.177418 1.366632 # 1 HOH +7841 2614 2 0.423800 33.660946 36.285526 1.097847 # 2 HOH +7842 2614 2 0.423800 32.650242 37.048038 2.218585 # 2 HOH +7843 2615 1 -0.847600 32.950832 8.449166 10.787438 # 1 HOH +7844 2615 2 0.423800 33.089355 7.528935 11.290044 # 2 HOH +7845 2615 2 0.423800 32.018414 8.738111 10.873732 # 2 HOH +7846 2616 1 -0.847600 22.986952 14.653672 22.276117 # 1 HOH +7847 2616 2 0.423800 22.127108 14.079139 22.193871 # 2 HOH +7848 2616 2 0.423800 22.862486 15.351640 22.934036 # 2 HOH +7849 2617 1 -0.847600 25.908911 23.932858 6.685142 # 1 HOH +7850 2617 2 0.423800 25.071156 24.470539 6.952593 # 2 HOH +7851 2617 2 0.423800 25.698742 22.990841 6.681415 # 2 HOH +7852 2618 1 -0.847600 42.164684 38.094456 35.270016 # 1 HOH +7853 2618 2 0.423800 42.241032 37.224419 35.762054 # 2 HOH +7854 2618 2 0.423800 42.029942 37.723526 34.352558 # 2 HOH +7855 2619 1 -0.847600 0.848660 21.882803 11.790718 # 1 HOH +7856 2619 2 0.423800 0.464595 21.165480 11.182076 # 2 HOH +7857 2619 2 0.423800 0.153163 22.041172 12.467775 # 2 HOH +7858 2620 1 -0.847600 17.561052 17.606520 37.694534 # 1 HOH +7859 2620 2 0.423800 18.345327 17.883951 37.250141 # 2 HOH +7860 2620 2 0.423800 16.855314 18.282627 37.515999 # 2 HOH +7861 2621 1 -0.847600 4.313679 14.167106 10.199731 # 1 HOH +7862 2621 2 0.423800 3.477349 14.010859 9.716297 # 2 HOH +7863 2621 2 0.423800 4.714847 15.060993 9.820150 # 2 HOH +7864 2622 1 -0.847600 30.065731 7.797277 26.294994 # 1 HOH +7865 2622 2 0.423800 30.787985 8.330960 26.791258 # 2 HOH +7866 2622 2 0.423800 30.044180 8.094266 25.322371 # 2 HOH +7867 2623 1 -0.847600 24.083254 21.201187 1.329258 # 1 HOH +7868 2623 2 0.423800 24.413345 20.366146 0.922923 # 2 HOH +7869 2623 2 0.423800 24.329315 22.006714 0.748688 # 2 HOH +7870 2624 1 -0.847600 2.709621 36.504395 32.116173 # 1 HOH +7871 2624 2 0.423800 3.247938 36.278187 31.244017 # 2 HOH +7872 2624 2 0.423800 1.792038 36.442215 31.723330 # 2 HOH +7873 2625 1 -0.847600 37.382614 38.628208 33.974949 # 1 HOH +7874 2625 2 0.423800 37.295925 39.462120 33.490330 # 2 HOH +7875 2625 2 0.423800 38.100163 38.006622 33.542484 # 2 HOH +7876 2626 1 -0.847600 37.583954 41.890152 17.135674 # 1 HOH +7877 2626 2 0.423800 36.968468 42.735130 17.065138 # 2 HOH +7878 2626 2 0.423800 38.502022 42.141109 17.182949 # 2 HOH +7879 2627 1 -0.847600 6.188152 14.560820 7.521915 # 1 HOH +7880 2627 2 0.423800 6.165732 15.064027 6.679689 # 2 HOH +7881 2627 2 0.423800 6.451371 15.258242 8.095588 # 2 HOH +7882 2628 1 -0.847600 8.693464 18.880028 8.544758 # 1 HOH +7883 2628 2 0.423800 7.934556 18.625025 9.234251 # 2 HOH +7884 2628 2 0.423800 9.194043 19.662937 9.070675 # 2 HOH +7885 2629 1 -0.847600 12.195925 28.772278 40.042088 # 1 HOH +7886 2629 2 0.423800 11.722777 28.693426 40.946102 # 2 HOH +7887 2629 2 0.423800 12.107330 29.760048 39.744919 # 2 HOH +7888 2630 1 -0.847600 14.906514 43.859161 17.818575 # 1 HOH +7889 2630 2 0.423800 14.112617 44.038177 17.172640 # 2 HOH +7890 2630 2 0.423800 14.537997 43.221710 18.548708 # 2 HOH +7891 2631 1 -0.847600 22.990509 10.304318 31.240456 # 1 HOH +7892 2631 2 0.423800 22.218098 10.610869 30.729055 # 2 HOH +7893 2631 2 0.423800 23.165316 9.361514 30.906607 # 2 HOH +7894 2632 1 -0.847600 27.774076 2.788194 23.450211 # 1 HOH +7895 2632 2 0.423800 28.346542 2.992846 22.636974 # 2 HOH +7896 2632 2 0.423800 27.132032 2.032808 23.199554 # 2 HOH +7897 2633 1 -0.847600 40.103447 41.389103 29.929960 # 1 HOH +7898 2633 2 0.423800 40.664425 41.972286 30.427887 # 2 HOH +7899 2633 2 0.423800 40.618835 40.481712 29.798191 # 2 HOH +7900 2634 1 -0.847600 8.617138 1.687602 28.055029 # 1 HOH +7901 2634 2 0.423800 7.909170 1.871159 28.676680 # 2 HOH +7902 2634 2 0.423800 9.334558 1.335910 28.589718 # 2 HOH +7903 2635 1 -0.847600 39.882347 19.285019 11.737652 # 1 HOH +7904 2635 2 0.423800 39.215450 19.104622 12.501543 # 2 HOH +7905 2635 2 0.423800 40.692047 18.968357 12.137500 # 2 HOH +7906 2636 1 -0.847600 21.685688 5.632394 35.846554 # 1 HOH +7907 2636 2 0.423800 21.617674 5.944869 34.819431 # 2 HOH +7908 2636 2 0.423800 20.774853 5.548001 36.350597 # 2 HOH +7909 2637 1 -0.847600 -0.273232 40.249432 3.071356 # 1 HOH +7910 2637 2 0.423800 -0.219369 40.481487 4.106796 # 2 HOH +7911 2637 2 0.423800 0.399554 39.465435 3.045314 # 2 HOH +7912 2638 1 -0.847600 15.965063 34.939060 2.558400 # 1 HOH +7913 2638 2 0.423800 15.725309 34.104557 2.171953 # 2 HOH +7914 2638 2 0.423800 16.829470 35.085484 2.070740 # 2 HOH +7915 2639 1 -0.847600 15.493772 21.879957 17.642387 # 1 HOH +7916 2639 2 0.423800 14.866824 22.064753 16.866024 # 2 HOH +7917 2639 2 0.423800 16.455730 21.918083 17.225803 # 2 HOH +7918 2640 1 -0.847600 35.046921 26.770115 2.475899 # 1 HOH +7919 2640 2 0.423800 35.895012 27.248817 2.702447 # 2 HOH +7920 2640 2 0.423800 34.519241 26.541740 3.332644 # 2 HOH +7921 2641 1 -0.847600 12.010461 37.601303 10.136133 # 1 HOH +7922 2641 2 0.423800 11.587119 36.975281 10.794013 # 2 HOH +7923 2641 2 0.423800 11.541747 37.345673 9.275092 # 2 HOH +7924 2642 1 -0.847600 11.759552 31.287016 38.986336 # 1 HOH +7925 2642 2 0.423800 11.341144 32.008698 38.395973 # 2 HOH +7926 2642 2 0.423800 12.739034 31.587732 39.264469 # 2 HOH +7927 2643 1 -0.847600 20.259434 22.009815 2.821998 # 1 HOH +7928 2643 2 0.423800 19.337444 21.756611 2.770397 # 2 HOH +7929 2643 2 0.423800 20.685478 21.267410 2.335404 # 2 HOH +7930 2644 1 -0.847600 22.863274 39.573048 32.146408 # 1 HOH +7931 2644 2 0.423800 23.568111 40.210030 32.179859 # 2 HOH +7932 2644 2 0.423800 22.057915 39.956505 32.170265 # 2 HOH +7933 2645 1 -0.847600 28.724554 10.235554 16.506998 # 1 HOH +7934 2645 2 0.423800 28.024015 10.439777 17.200348 # 2 HOH +7935 2645 2 0.423800 28.289913 9.455914 16.027220 # 2 HOH +7936 2646 1 -0.847600 7.182549 42.416637 6.762039 # 1 HOH +7937 2646 2 0.423800 8.101381 42.686588 6.562457 # 2 HOH +7938 2646 2 0.423800 7.082386 42.428410 7.841887 # 2 HOH +7939 2647 1 -0.847600 1.717165 39.209465 30.110029 # 1 HOH +7940 2647 2 0.423800 2.096452 40.031132 29.645306 # 2 HOH +7941 2647 2 0.423800 2.346782 39.179390 30.911680 # 2 HOH +7942 2648 1 -0.847600 20.452873 14.873417 29.369232 # 1 HOH +7943 2648 2 0.423800 21.072603 14.362903 28.744980 # 2 HOH +7944 2648 2 0.423800 20.820185 14.718819 30.299109 # 2 HOH +7945 2649 1 -0.847600 39.255726 23.908545 33.893452 # 1 HOH +7946 2649 2 0.423800 39.426575 24.742165 34.391308 # 2 HOH +7947 2649 2 0.423800 39.782234 24.016186 33.122528 # 2 HOH +7948 2650 1 -0.847600 16.840557 45.252808 36.544785 # 1 HOH +7949 2650 2 0.423800 17.348236 44.414658 36.136082 # 2 HOH +7950 2650 2 0.423800 16.950415 45.261646 37.538158 # 2 HOH +7951 2651 1 -0.847600 3.683207 2.982061 15.107574 # 1 HOH +7952 2651 2 0.423800 3.590812 4.002845 15.091732 # 2 HOH +7953 2651 2 0.423800 4.687722 2.896328 15.170223 # 2 HOH +7954 2652 1 -0.847600 14.214584 39.987206 26.044369 # 1 HOH +7955 2652 2 0.423800 14.313284 39.954754 25.044127 # 2 HOH +7956 2652 2 0.423800 13.515133 40.725746 26.146294 # 2 HOH +7957 2653 1 -0.847600 16.072445 38.849010 40.564537 # 1 HOH +7958 2653 2 0.423800 16.226357 38.530758 39.591782 # 2 HOH +7959 2653 2 0.423800 16.815769 38.495106 40.942631 # 2 HOH +7960 2654 1 -0.847600 40.727058 41.554302 17.627453 # 1 HOH +7961 2654 2 0.423800 40.849293 42.253494 18.273497 # 2 HOH +7962 2654 2 0.423800 40.388439 40.859493 18.223475 # 2 HOH +7963 2655 1 -0.847600 4.271946 25.969110 19.214590 # 1 HOH +7964 2655 2 0.423800 4.120275 26.351561 18.277880 # 2 HOH +7965 2655 2 0.423800 3.597948 26.613424 19.756285 # 2 HOH +7966 2656 1 -0.847600 8.199082 0.062969 25.859234 # 1 HOH +7967 2656 2 0.423800 8.616318 0.748673 26.457113 # 2 HOH +7968 2656 2 0.423800 7.249474 0.445370 25.751459 # 2 HOH +7969 2657 1 -0.847600 26.267843 13.590007 41.959705 # 1 HOH +7970 2657 2 0.423800 25.613379 12.930499 42.398468 # 2 HOH +7971 2657 2 0.423800 25.840540 13.664060 41.063633 # 2 HOH +7972 2658 1 -0.847600 35.428471 40.610622 11.783462 # 1 HOH +7973 2658 2 0.423800 34.977535 39.792511 11.357509 # 2 HOH +7974 2658 2 0.423800 35.689999 40.308540 12.663635 # 2 HOH +7975 2659 1 -0.847600 14.463970 28.467463 36.709709 # 1 HOH +7976 2659 2 0.423800 14.918460 28.715059 35.807571 # 2 HOH +7977 2659 2 0.423800 13.562469 28.547199 36.565090 # 2 HOH +7978 2660 1 -0.847600 37.997211 34.706120 26.053061 # 1 HOH +7979 2660 2 0.423800 38.020233 34.086193 25.287163 # 2 HOH +7980 2660 2 0.423800 37.072872 34.674858 26.417812 # 2 HOH +7981 2661 1 -0.847600 21.082994 41.572037 19.226070 # 1 HOH +7982 2661 2 0.423800 20.764130 42.519417 19.557558 # 2 HOH +7983 2661 2 0.423800 20.405735 41.326866 18.465813 # 2 HOH +7984 2662 1 -0.847600 20.185884 18.047909 39.571533 # 1 HOH +7985 2662 2 0.423800 20.087780 18.755741 38.907017 # 2 HOH +7986 2662 2 0.423800 20.713900 17.318817 39.215363 # 2 HOH +7987 2663 1 -0.847600 21.369862 10.095657 19.520727 # 1 HOH +7988 2663 2 0.423800 20.846256 10.488366 18.713747 # 2 HOH +7989 2663 2 0.423800 22.230745 10.661528 19.564781 # 2 HOH +7990 2664 1 -0.847600 24.481031 38.358967 37.283619 # 1 HOH +7991 2664 2 0.423800 25.226191 37.843636 37.452538 # 2 HOH +7992 2664 2 0.423800 24.792234 39.194401 36.710110 # 2 HOH +7993 2665 1 -0.847600 29.436359 40.996822 34.692902 # 1 HOH +7994 2665 2 0.423800 29.856155 40.131245 34.450077 # 2 HOH +7995 2665 2 0.423800 29.155716 41.422394 33.799889 # 2 HOH +7996 2666 1 -0.847600 11.613001 12.355340 8.114925 # 1 HOH +7997 2666 2 0.423800 12.069575 12.249093 7.206713 # 2 HOH +7998 2666 2 0.423800 12.142108 12.909467 8.739820 # 2 HOH +7999 2667 1 -0.847600 2.935434 11.605765 26.937529 # 1 HOH +8000 2667 2 0.423800 2.058468 12.051053 26.713343 # 2 HOH +8001 2667 2 0.423800 3.717435 12.169915 26.638809 # 2 HOH +8002 2668 1 -0.847600 23.512358 19.571514 20.177540 # 1 HOH +8003 2668 2 0.423800 23.212992 19.565779 19.216387 # 2 HOH +8004 2668 2 0.423800 23.679888 18.613981 20.473131 # 2 HOH +8005 2669 1 -0.847600 37.331409 10.432117 32.964928 # 1 HOH +8006 2669 2 0.423800 36.579998 9.741021 32.803291 # 2 HOH +8007 2669 2 0.423800 36.942699 11.386009 33.354706 # 2 HOH +8008 2670 1 -0.847600 6.263557 14.038837 4.274858 # 1 HOH +8009 2670 2 0.423800 6.649576 13.677407 3.389369 # 2 HOH +8010 2670 2 0.423800 6.940343 14.597445 4.618354 # 2 HOH +8011 2671 1 -0.847600 15.343116 12.664628 2.424654 # 1 HOH +8012 2671 2 0.423800 16.116829 13.375267 2.591627 # 2 HOH +8013 2671 2 0.423800 14.550576 13.236919 2.181677 # 2 HOH +8014 2672 1 -0.847600 31.106606 32.937935 7.207308 # 1 HOH +8015 2672 2 0.423800 30.369822 32.496441 7.767312 # 2 HOH +8016 2672 2 0.423800 31.267897 32.271255 6.555653 # 2 HOH +8017 2673 1 -0.847600 35.883400 16.188231 19.655113 # 1 HOH +8018 2673 2 0.423800 35.370552 16.333628 20.473818 # 2 HOH +8019 2673 2 0.423800 36.114731 17.027555 19.151842 # 2 HOH +8020 2674 1 -0.847600 11.814372 37.672264 27.062637 # 1 HOH +8021 2674 2 0.423800 11.808497 37.646606 28.072847 # 2 HOH +8022 2674 2 0.423800 12.758592 37.380978 26.684162 # 2 HOH +8023 2675 1 -0.847600 37.138535 24.348030 4.014541 # 1 HOH +8024 2675 2 0.423800 37.211140 24.537739 3.024597 # 2 HOH +8025 2675 2 0.423800 37.770668 24.923384 4.449053 # 2 HOH +8026 2676 1 -0.847600 30.032240 36.165718 8.817864 # 1 HOH +8027 2676 2 0.423800 29.513144 35.544209 8.135768 # 2 HOH +8028 2676 2 0.423800 30.766741 36.649258 8.321817 # 2 HOH +8029 2677 1 -0.847600 1.119593 31.784891 1.463354 # 1 HOH +8030 2677 2 0.423800 1.665299 32.079391 2.235541 # 2 HOH +8031 2677 2 0.423800 1.830604 31.748156 0.668933 # 2 HOH +8032 2678 1 -0.847600 33.056541 7.191064 38.935623 # 1 HOH +8033 2678 2 0.423800 33.704292 7.556167 39.674404 # 2 HOH +8034 2678 2 0.423800 33.409081 7.727314 38.137238 # 2 HOH +8035 2679 1 -0.847600 16.108637 26.967724 16.079304 # 1 HOH +8036 2679 2 0.423800 16.751112 26.306728 16.313332 # 2 HOH +8037 2679 2 0.423800 15.326776 26.431200 15.778896 # 2 HOH +8038 2680 1 -0.847600 17.495407 38.179169 23.846603 # 1 HOH +8039 2680 2 0.423800 17.066452 37.682526 24.687490 # 2 HOH +8040 2680 2 0.423800 18.188286 37.512646 23.535595 # 2 HOH +8041 2681 1 -0.847600 26.408062 8.950288 39.302197 # 1 HOH +8042 2681 2 0.423800 27.124235 9.020411 40.035507 # 2 HOH +8043 2681 2 0.423800 26.901413 9.567386 38.560612 # 2 HOH +8044 2682 1 -0.847600 0.474937 43.401711 12.317257 # 1 HOH +8045 2682 2 0.423800 1.218236 44.066936 12.172974 # 2 HOH +8046 2682 2 0.423800 0.550969 42.623802 11.627446 # 2 HOH +8047 2683 1 -0.847600 14.063254 5.763067 0.149129 # 1 HOH +8048 2683 2 0.423800 14.799505 6.319203 0.427824 # 2 HOH +8049 2683 2 0.423800 14.034904 4.926783 0.709273 # 2 HOH +8050 2684 1 -0.847600 5.541310 9.674863 3.419988 # 1 HOH +8051 2684 2 0.423800 5.725278 9.174067 4.237050 # 2 HOH +8052 2684 2 0.423800 4.563413 9.569164 3.403531 # 2 HOH +8053 2685 1 -0.847600 27.667065 40.462898 30.454412 # 1 HOH +8054 2685 2 0.423800 26.722410 40.668594 30.717377 # 2 HOH +8055 2685 2 0.423800 27.910120 39.557323 30.788830 # 2 HOH +8056 2686 1 -0.847600 18.029608 32.365200 14.243946 # 1 HOH +8057 2686 2 0.423800 17.111708 32.321636 13.859046 # 2 HOH +8058 2686 2 0.423800 18.206104 31.345257 14.528468 # 2 HOH +8059 2687 1 -0.847600 27.079977 34.127743 32.695675 # 1 HOH +8060 2687 2 0.423800 26.655504 34.781956 33.375221 # 2 HOH +8061 2687 2 0.423800 27.999508 34.056992 33.018608 # 2 HOH +8062 2688 1 -0.847600 4.156232 6.600798 4.250060 # 1 HOH +8063 2688 2 0.423800 3.456527 5.902664 4.014709 # 2 HOH +8064 2688 2 0.423800 4.895833 6.660659 3.513301 # 2 HOH +8065 2689 1 -0.847600 12.064860 7.335719 10.227037 # 1 HOH +8066 2689 2 0.423800 12.230611 6.877650 11.153722 # 2 HOH +8067 2689 2 0.423800 12.528087 8.126351 10.297580 # 2 HOH +8068 2690 1 -0.847600 42.201538 6.946207 41.160938 # 1 HOH +8069 2690 2 0.423800 42.902283 6.121766 41.032337 # 2 HOH +8070 2690 2 0.423800 42.651897 7.777259 41.538998 # 2 HOH +8071 2691 1 -0.847600 20.587732 44.252605 19.385263 # 1 HOH +8072 2691 2 0.423800 20.322842 44.286095 18.478437 # 2 HOH +8073 2691 2 0.423800 19.825977 44.418129 20.006632 # 2 HOH +8074 2692 1 -0.847600 7.089065 36.576462 19.242502 # 1 HOH +8075 2692 2 0.423800 6.609904 37.375443 18.832668 # 2 HOH +8076 2692 2 0.423800 6.449671 35.812145 19.365845 # 2 HOH +8077 2693 1 -0.847600 29.585222 4.168447 5.582146 # 1 HOH +8078 2693 2 0.423800 29.471464 3.401813 6.280655 # 2 HOH +8079 2693 2 0.423800 30.420595 4.551693 5.832966 # 2 HOH +8080 2694 1 -0.847600 3.267989 3.263509 11.933722 # 1 HOH +8081 2694 2 0.423800 2.785264 4.069578 11.476709 # 2 HOH +8082 2694 2 0.423800 4.071216 3.792780 12.442063 # 2 HOH +8083 2695 1 -0.847600 11.647435 17.845131 24.725386 # 1 HOH +8084 2695 2 0.423800 11.558180 18.865295 24.811604 # 2 HOH +8085 2695 2 0.423800 10.834169 17.545805 24.323891 # 2 HOH +8086 2696 1 -0.847600 21.976656 37.354454 37.410484 # 1 HOH +8087 2696 2 0.423800 21.939037 36.944447 36.443851 # 2 HOH +8088 2696 2 0.423800 22.729582 37.973415 37.275200 # 2 HOH +8089 2697 1 -0.847600 18.992222 4.474004 4.546389 # 1 HOH +8090 2697 2 0.423800 18.457487 4.654788 3.716457 # 2 HOH +8091 2697 2 0.423800 18.270458 4.430089 5.200700 # 2 HOH +8092 2698 1 -0.847600 30.643772 16.146189 17.411669 # 1 HOH +8093 2698 2 0.423800 30.693935 17.124369 17.215113 # 2 HOH +8094 2698 2 0.423800 31.620779 15.787387 17.505913 # 2 HOH +8095 2699 1 -0.847600 12.460299 29.592957 27.403723 # 1 HOH +8096 2699 2 0.423800 13.030812 28.756264 27.303093 # 2 HOH +8097 2699 2 0.423800 12.108290 29.886841 26.526154 # 2 HOH +8098 2700 1 -0.847600 35.117115 22.245094 21.344442 # 1 HOH +8099 2700 2 0.423800 35.211739 21.409697 21.856739 # 2 HOH +8100 2700 2 0.423800 34.310509 22.052870 20.766314 # 2 HOH +8101 2701 1 -0.847600 27.214464 25.017330 41.015572 # 1 HOH +8102 2701 2 0.423800 28.162008 24.915121 41.014084 # 2 HOH +8103 2701 2 0.423800 27.115715 25.841297 40.306908 # 2 HOH +8104 2702 1 -0.847600 38.240364 15.041325 20.694082 # 1 HOH +8105 2702 2 0.423800 38.775677 14.866364 19.851978 # 2 HOH +8106 2702 2 0.423800 37.277512 15.230887 20.462946 # 2 HOH +8107 2703 1 -0.847600 39.622280 23.678642 37.856270 # 1 HOH +8108 2703 2 0.423800 39.725780 24.531918 37.261745 # 2 HOH +8109 2703 2 0.423800 38.634762 23.871893 38.104965 # 2 HOH +8110 2704 1 -0.847600 1.451060 29.289379 37.660885 # 1 HOH +8111 2704 2 0.423800 0.585550 29.470749 37.896523 # 2 HOH +8112 2704 2 0.423800 1.702149 28.533297 38.280411 # 2 HOH +8113 2705 1 -0.847600 36.621929 40.025692 42.140903 # 1 HOH +8114 2705 2 0.423800 35.961975 39.385635 42.662991 # 2 HOH +8115 2705 2 0.423800 37.408936 39.395630 42.252663 # 2 HOH +8116 2706 1 -0.847600 28.424192 6.072391 30.826239 # 1 HOH +8117 2706 2 0.423800 27.440027 6.284120 31.086948 # 2 HOH +8118 2706 2 0.423800 28.519938 6.605733 29.889334 # 2 HOH +8119 2707 1 -0.847600 12.697501 -0.576918 16.152845 # 1 HOH +8120 2707 2 0.423800 11.789874 -0.615145 16.550888 # 2 HOH +8121 2707 2 0.423800 12.637826 0.100974 15.458232 # 2 HOH +8122 2708 1 -0.847600 39.058159 20.161713 24.628443 # 1 HOH +8123 2708 2 0.423800 38.598930 19.608387 25.308962 # 2 HOH +8124 2708 2 0.423800 39.941486 20.304350 25.099257 # 2 HOH +8125 2709 1 -0.847600 32.746773 33.687588 32.341377 # 1 HOH +8126 2709 2 0.423800 33.761253 33.552322 32.490791 # 2 HOH +8127 2709 2 0.423800 32.534912 33.565434 33.344757 # 2 HOH +8128 2710 1 -0.847600 9.701057 31.320194 40.808361 # 1 HOH +8129 2710 2 0.423800 9.201039 30.389557 40.569687 # 2 HOH +8130 2710 2 0.423800 10.417002 31.415024 40.127522 # 2 HOH +8131 2711 1 -0.847600 16.705498 19.507341 8.517838 # 1 HOH +8132 2711 2 0.423800 15.933226 19.935051 8.291784 # 2 HOH +8133 2711 2 0.423800 17.220858 20.238697 8.987312 # 2 HOH +8134 2712 1 -0.847600 15.773386 16.580072 20.962135 # 1 HOH +8135 2712 2 0.423800 16.077459 17.014553 21.810844 # 2 HOH +8136 2712 2 0.423800 16.280746 15.661153 21.009569 # 2 HOH +8137 2713 1 -0.847600 17.530184 41.448261 0.261887 # 1 HOH +8138 2713 2 0.423800 18.293684 41.959641 -0.335293 # 2 HOH +8139 2713 2 0.423800 17.712118 41.808155 1.181711 # 2 HOH +8140 2714 1 -0.847600 15.235524 3.756525 8.108510 # 1 HOH +8141 2714 2 0.423800 14.467875 3.704583 8.784360 # 2 HOH +8142 2714 2 0.423800 16.043901 3.720732 8.652192 # 2 HOH +8143 2715 1 -0.847600 12.021590 19.619070 12.558913 # 1 HOH +8144 2715 2 0.423800 12.337893 19.949718 11.679125 # 2 HOH +8145 2715 2 0.423800 12.784289 19.239075 13.042244 # 2 HOH +8146 2716 1 -0.847600 39.747913 22.004995 11.038051 # 1 HOH +8147 2716 2 0.423800 39.753868 20.998325 10.976866 # 2 HOH +8148 2716 2 0.423800 39.991341 22.320818 10.057830 # 2 HOH +8149 2717 1 -0.847600 17.166296 43.117554 16.241392 # 1 HOH +8150 2717 2 0.423800 16.436373 43.554348 16.857182 # 2 HOH +8151 2717 2 0.423800 16.921259 43.151428 15.224487 # 2 HOH +8152 2718 1 -0.847600 26.210451 28.603519 2.633150 # 1 HOH +8153 2718 2 0.423800 25.910015 27.921165 3.353849 # 2 HOH +8154 2718 2 0.423800 26.960308 28.048044 2.216332 # 2 HOH +8155 2719 1 -0.847600 30.259827 10.117601 31.423336 # 1 HOH +8156 2719 2 0.423800 30.672750 9.427024 32.066967 # 2 HOH +8157 2719 2 0.423800 29.413889 10.280005 31.951384 # 2 HOH +8158 2720 1 -0.847600 8.470101 29.988150 24.583126 # 1 HOH +8159 2720 2 0.423800 8.132653 29.619957 23.758343 # 2 HOH +8160 2720 2 0.423800 8.042662 29.403408 25.259840 # 2 HOH +8161 2721 1 -0.847600 42.086140 8.257573 3.104691 # 1 HOH +8162 2721 2 0.423800 41.248863 8.607278 2.597850 # 2 HOH +8163 2721 2 0.423800 42.603409 9.199095 3.062767 # 2 HOH +8164 2722 1 -0.847600 25.071383 3.669109 24.935682 # 1 HOH +8165 2722 2 0.423800 24.508358 2.864633 24.763748 # 2 HOH +8166 2722 2 0.423800 25.913107 3.608425 24.322996 # 2 HOH +8167 2723 1 -0.847600 1.926145 2.797040 6.307045 # 1 HOH +8168 2723 2 0.423800 2.346188 1.839244 6.493559 # 2 HOH +8169 2723 2 0.423800 1.624811 2.733567 5.282691 # 2 HOH +8170 2724 1 -0.847600 20.891233 6.108661 21.527098 # 1 HOH +8171 2724 2 0.423800 19.961935 5.695160 21.864077 # 2 HOH +8172 2724 2 0.423800 21.523651 6.024632 22.309399 # 2 HOH +8173 2725 1 -0.847600 27.187475 6.493152 23.120943 # 1 HOH +8174 2725 2 0.423800 27.961014 5.928881 22.636047 # 2 HOH +8175 2725 2 0.423800 27.639408 7.164289 23.690784 # 2 HOH +8176 2726 1 -0.847600 19.311077 8.101521 35.737282 # 1 HOH +8177 2726 2 0.423800 19.250834 7.205794 36.162556 # 2 HOH +8178 2726 2 0.423800 20.112713 8.507328 36.184887 # 2 HOH +8179 2727 1 -0.847600 10.623232 16.014658 18.746469 # 1 HOH +8180 2727 2 0.423800 11.208456 16.837130 18.981857 # 2 HOH +8181 2727 2 0.423800 9.712236 16.329538 18.856459 # 2 HOH +8182 2728 1 -0.847600 14.625712 41.317593 9.137707 # 1 HOH +8183 2728 2 0.423800 14.051533 42.218441 9.141626 # 2 HOH +8184 2728 2 0.423800 15.349824 41.549591 9.857127 # 2 HOH +8185 2729 1 -0.847600 38.204292 13.617852 0.802588 # 1 HOH +8186 2729 2 0.423800 37.859013 14.556979 0.669571 # 2 HOH +8187 2729 2 0.423800 38.111603 13.521417 1.784071 # 2 HOH +8188 2730 1 -0.847600 27.906031 14.092913 1.949595 # 1 HOH +8189 2730 2 0.423800 28.337688 14.991323 1.832880 # 2 HOH +8190 2730 2 0.423800 27.303616 14.101000 1.032424 # 2 HOH +8191 2731 1 -0.847600 26.994373 40.787369 5.015197 # 1 HOH +8192 2731 2 0.423800 27.418304 41.519405 5.615924 # 2 HOH +8193 2731 2 0.423800 26.681725 41.408527 4.274135 # 2 HOH +8194 2732 1 -0.847600 37.864361 3.794598 3.911143 # 1 HOH +8195 2732 2 0.423800 38.773331 4.243056 4.070096 # 2 HOH +8196 2732 2 0.423800 38.017944 2.789721 3.677214 # 2 HOH +8197 2733 1 -0.847600 27.410440 21.733995 5.189874 # 1 HOH +8198 2733 2 0.423800 26.496758 21.277044 4.831561 # 2 HOH +8199 2733 2 0.423800 27.324820 21.849026 6.148582 # 2 HOH +8200 2734 1 -0.847600 11.464347 24.261044 9.125172 # 1 HOH +8201 2734 2 0.423800 10.531282 24.384850 9.365460 # 2 HOH +8202 2734 2 0.423800 11.577692 24.312584 8.084940 # 2 HOH +8203 2735 1 -0.847600 14.511085 31.173351 19.283339 # 1 HOH +8204 2735 2 0.423800 15.202615 30.592381 19.706827 # 2 HOH +8205 2735 2 0.423800 15.147279 31.771826 18.727173 # 2 HOH +8206 2736 1 -0.847600 17.095419 37.073795 11.046604 # 1 HOH +8207 2736 2 0.423800 16.894522 36.046936 11.127447 # 2 HOH +8208 2736 2 0.423800 17.577112 37.234978 10.242652 # 2 HOH +8209 2737 1 -0.847600 33.613083 30.492090 0.053945 # 1 HOH +8210 2737 2 0.423800 33.130245 29.911678 0.731121 # 2 HOH +8211 2737 2 0.423800 33.721035 29.898090 -0.753325 # 2 HOH +8212 2738 1 -0.847600 22.320375 38.398106 25.428221 # 1 HOH +8213 2738 2 0.423800 22.519823 37.443775 25.183601 # 2 HOH +8214 2738 2 0.423800 21.807055 38.704441 24.670824 # 2 HOH +8215 2739 1 -0.847600 2.039521 9.036915 24.067770 # 1 HOH +8216 2739 2 0.423800 2.079566 8.285682 24.820847 # 2 HOH +8217 2739 2 0.423800 1.528104 9.780307 24.519598 # 2 HOH +8218 2740 1 -0.847600 39.443806 34.591320 7.027592 # 1 HOH +8219 2740 2 0.423800 40.460152 34.545929 7.076576 # 2 HOH +8220 2740 2 0.423800 39.251789 35.615135 7.205839 # 2 HOH +8221 2741 1 -0.847600 27.200750 7.369809 4.425881 # 1 HOH +8222 2741 2 0.423800 27.374966 6.387924 4.295531 # 2 HOH +8223 2741 2 0.423800 26.255386 7.529026 3.979779 # 2 HOH +8224 2742 1 -0.847600 18.649477 23.355288 11.461590 # 1 HOH +8225 2742 2 0.423800 18.445307 24.132181 12.154742 # 2 HOH +8226 2742 2 0.423800 19.035858 23.865719 10.697294 # 2 HOH +8227 2743 1 -0.847600 40.555405 12.328032 35.896130 # 1 HOH +8228 2743 2 0.423800 40.793999 12.568020 36.831760 # 2 HOH +8229 2743 2 0.423800 39.752247 12.865363 35.745678 # 2 HOH +8230 2744 1 -0.847600 1.649914 17.626245 18.410271 # 1 HOH +8231 2744 2 0.423800 2.350696 16.987091 18.643318 # 2 HOH +8232 2744 2 0.423800 2.151098 18.334288 17.714981 # 2 HOH +8233 2745 1 -0.847600 15.788153 38.927773 32.519753 # 1 HOH +8234 2745 2 0.423800 15.786868 37.984161 32.807682 # 2 HOH +8235 2745 2 0.423800 15.003016 39.314476 32.991306 # 2 HOH +8236 2746 1 -0.847600 36.991280 8.659668 17.751490 # 1 HOH +8237 2746 2 0.423800 37.837147 9.137454 18.304348 # 2 HOH +8238 2746 2 0.423800 37.426346 7.884593 17.368149 # 2 HOH +8239 2747 1 -0.847600 8.409198 9.086483 6.057491 # 1 HOH +8240 2747 2 0.423800 8.309979 10.099518 5.934768 # 2 HOH +8241 2747 2 0.423800 7.358531 8.787697 6.016495 # 2 HOH +8242 2748 1 -0.847600 41.912949 16.448523 6.051217 # 1 HOH +8243 2748 2 0.423800 41.435627 15.599798 5.911134 # 2 HOH +8244 2748 2 0.423800 42.806156 16.124275 5.728713 # 2 HOH +8245 2749 1 -0.847600 35.069984 8.597019 19.625147 # 1 HOH +8246 2749 2 0.423800 34.302303 8.692648 19.114597 # 2 HOH +8247 2749 2 0.423800 35.851971 8.499432 19.007877 # 2 HOH +8248 2750 1 -0.847600 37.887733 18.995125 13.697063 # 1 HOH +8249 2750 2 0.423800 38.182541 19.815639 14.244617 # 2 HOH +8250 2750 2 0.423800 36.854961 19.101370 13.564993 # 2 HOH +8251 2751 1 -0.847600 13.350270 21.793880 4.164944 # 1 HOH +8252 2751 2 0.423800 12.823638 22.522219 3.752362 # 2 HOH +8253 2751 2 0.423800 13.137069 20.947630 3.600297 # 2 HOH +8254 2752 1 -0.847600 23.352900 25.807333 25.294964 # 1 HOH +8255 2752 2 0.423800 23.735477 26.273399 24.462982 # 2 HOH +8256 2752 2 0.423800 23.353163 26.381899 26.026270 # 2 HOH +8257 2753 1 -0.847600 0.513605 31.657757 8.049743 # 1 HOH +8258 2753 2 0.423800 1.522458 31.767101 7.962751 # 2 HOH +8259 2753 2 0.423800 0.584619 31.135902 8.844021 # 2 HOH +8260 2754 1 -0.847600 36.369873 13.978362 24.956650 # 1 HOH +8261 2754 2 0.423800 37.122501 14.624088 24.912704 # 2 HOH +8262 2754 2 0.423800 35.794449 14.190862 24.134142 # 2 HOH +8263 2755 1 -0.847600 12.635210 42.177265 25.937256 # 1 HOH +8264 2755 2 0.423800 11.817771 42.539505 26.450647 # 2 HOH +8265 2755 2 0.423800 12.530302 42.405502 25.014942 # 2 HOH +8266 2756 1 -0.847600 3.812818 21.891840 16.136641 # 1 HOH +8267 2756 2 0.423800 4.743223 21.456648 16.286686 # 2 HOH +8268 2756 2 0.423800 3.735109 22.690363 16.859711 # 2 HOH +8269 2757 1 -0.847600 1.499159 28.728928 14.810084 # 1 HOH +8270 2757 2 0.423800 2.145332 28.017332 14.860609 # 2 HOH +8271 2757 2 0.423800 0.623324 28.245081 14.956530 # 2 HOH +8272 2758 1 -0.847600 24.626049 0.288807 38.813519 # 1 HOH +8273 2758 2 0.423800 25.118332 -0.422960 38.269543 # 2 HOH +8274 2758 2 0.423800 25.406565 0.890573 39.236916 # 2 HOH +8275 2759 1 -0.847600 21.450390 20.810543 11.078853 # 1 HOH +8276 2759 2 0.423800 20.727640 20.074278 10.883560 # 2 HOH +8277 2759 2 0.423800 21.274584 21.285234 11.952229 # 2 HOH +8278 2760 1 -0.847600 35.415184 3.577650 5.332554 # 1 HOH +8279 2760 2 0.423800 36.378078 3.598967 4.981680 # 2 HOH +8280 2760 2 0.423800 35.041245 2.641631 5.167724 # 2 HOH +8281 2761 1 -0.847600 37.828484 2.451639 14.341022 # 1 HOH +8282 2761 2 0.423800 37.851974 2.185395 13.401320 # 2 HOH +8283 2761 2 0.423800 38.772606 2.269934 14.645541 # 2 HOH +8284 2762 1 -0.847600 43.177082 29.397633 20.127108 # 1 HOH +8285 2762 2 0.423800 43.021099 30.028601 19.251268 # 2 HOH +8286 2762 2 0.423800 42.782963 28.502941 19.930107 # 2 HOH +8287 2763 1 -0.847600 0.105873 36.128014 30.964478 # 1 HOH +8288 2763 2 0.423800 -0.039086 36.864704 30.307272 # 2 HOH +8289 2763 2 0.423800 -0.652930 36.250534 31.678011 # 2 HOH +8290 2764 1 -0.847600 34.323246 19.916248 18.191282 # 1 HOH +8291 2764 2 0.423800 35.149036 19.481527 18.601234 # 2 HOH +8292 2764 2 0.423800 34.192486 19.225424 17.467768 # 2 HOH +8293 2765 1 -0.847600 38.572651 19.583765 4.455526 # 1 HOH +8294 2765 2 0.423800 37.614063 19.922653 4.565560 # 2 HOH +8295 2765 2 0.423800 38.839352 19.225643 5.409102 # 2 HOH +8296 2766 1 -0.847600 24.428717 11.113711 13.358742 # 1 HOH +8297 2766 2 0.423800 23.515882 10.768064 13.080567 # 2 HOH +8298 2766 2 0.423800 24.363056 11.688087 14.262186 # 2 HOH +8299 2767 1 -0.847600 34.120491 17.675806 38.458717 # 1 HOH +8300 2767 2 0.423800 33.412052 17.244762 37.981323 # 2 HOH +8301 2767 2 0.423800 33.983791 17.308922 39.372894 # 2 HOH +8302 2768 1 -0.847600 35.377659 37.325039 17.651510 # 1 HOH +8303 2768 2 0.423800 35.467464 36.645611 16.965376 # 2 HOH +8304 2768 2 0.423800 34.765099 38.047142 17.292969 # 2 HOH +8305 2769 1 -0.847600 41.013107 25.558323 24.219925 # 1 HOH +8306 2769 2 0.423800 41.082279 24.669981 23.727165 # 2 HOH +8307 2769 2 0.423800 40.494675 25.316746 25.094484 # 2 HOH +8308 2770 1 -0.847600 24.020813 29.193003 12.930317 # 1 HOH +8309 2770 2 0.423800 23.871374 28.906815 11.990872 # 2 HOH +8310 2770 2 0.423800 23.089115 29.414747 13.123846 # 2 HOH +8311 2771 1 -0.847600 5.603093 45.458931 12.259491 # 1 HOH +8312 2771 2 0.423800 5.381194 46.260616 12.731106 # 2 HOH +8313 2771 2 0.423800 5.587172 44.612995 12.816356 # 2 HOH +8314 2772 1 -0.847600 43.989685 13.164206 26.950544 # 1 HOH +8315 2772 2 0.423800 43.033241 12.909088 27.154419 # 2 HOH +8316 2772 2 0.423800 43.786865 14.106640 26.528917 # 2 HOH +8317 2773 1 -0.847600 10.789439 23.925100 39.696789 # 1 HOH +8318 2773 2 0.423800 10.104475 24.609230 39.552666 # 2 HOH +8319 2773 2 0.423800 10.807537 23.491089 38.794548 # 2 HOH +8320 2774 1 -0.847600 7.620973 28.563526 5.186943 # 1 HOH +8321 2774 2 0.423800 8.421986 28.759094 5.740715 # 2 HOH +8322 2774 2 0.423800 7.796603 27.679161 4.601849 # 2 HOH +8323 2775 1 -0.847600 28.014315 31.298758 20.552996 # 1 HOH +8324 2775 2 0.423800 28.092319 30.906631 21.466074 # 2 HOH +8325 2775 2 0.423800 27.072590 31.351892 20.294666 # 2 HOH +8326 2776 1 -0.847600 14.591659 24.566187 37.975002 # 1 HOH +8327 2776 2 0.423800 14.561602 25.298773 38.659157 # 2 HOH +8328 2776 2 0.423800 13.969422 24.783451 37.298401 # 2 HOH +8329 2777 1 -0.847600 29.068913 36.681458 2.565781 # 1 HOH +8330 2777 2 0.423800 28.649035 36.792767 3.488235 # 2 HOH +8331 2777 2 0.423800 30.092712 36.841614 2.716213 # 2 HOH +8332 2778 1 -0.847600 16.393610 16.533136 8.485651 # 1 HOH +8333 2778 2 0.423800 16.334160 17.576897 8.679596 # 2 HOH +8334 2778 2 0.423800 16.642401 16.602438 7.472963 # 2 HOH +8335 2779 1 -0.847600 40.957447 16.416050 40.723717 # 1 HOH +8336 2779 2 0.423800 40.166645 16.660814 40.440575 # 2 HOH +8337 2779 2 0.423800 41.006699 16.650003 41.724304 # 2 HOH +8338 2780 1 -0.847600 9.174915 11.456496 34.019428 # 1 HOH +8339 2780 2 0.423800 8.171628 11.832321 34.004116 # 2 HOH +8340 2780 2 0.423800 9.865543 12.236285 33.869503 # 2 HOH +8341 2781 1 -0.847600 14.484672 1.530126 12.938781 # 1 HOH +8342 2781 2 0.423800 14.267687 0.592090 12.839314 # 2 HOH +8343 2781 2 0.423800 13.591445 1.913441 13.309605 # 2 HOH +8344 2782 1 -0.847600 14.992597 33.895901 30.274967 # 1 HOH +8345 2782 2 0.423800 15.666541 33.524445 29.601797 # 2 HOH +8346 2782 2 0.423800 15.415300 33.723404 31.191071 # 2 HOH +8347 2783 1 -0.847600 4.140224 5.401897 39.526920 # 1 HOH +8348 2783 2 0.423800 4.229983 5.306086 38.536274 # 2 HOH +8349 2783 2 0.423800 4.735139 4.706819 39.803925 # 2 HOH +8350 2784 1 -0.847600 4.941917 12.252594 40.558514 # 1 HOH +8351 2784 2 0.423800 4.166291 11.709962 40.822128 # 2 HOH +8352 2784 2 0.423800 4.622644 13.174657 40.320148 # 2 HOH +8353 2785 1 -0.847600 19.794121 3.996835 16.533016 # 1 HOH +8354 2785 2 0.423800 20.649929 4.374551 16.832237 # 2 HOH +8355 2785 2 0.423800 19.163921 4.811754 16.323500 # 2 HOH +8356 2786 1 -0.847600 24.777519 35.266136 13.942390 # 1 HOH +8357 2786 2 0.423800 24.687908 36.242588 13.705069 # 2 HOH +8358 2786 2 0.423800 25.615452 34.784225 13.575259 # 2 HOH +8359 2787 1 -0.847600 42.323334 25.459341 6.653391 # 1 HOH +8360 2787 2 0.423800 42.719345 25.186790 5.792207 # 2 HOH +8361 2787 2 0.423800 42.995331 25.332993 7.361462 # 2 HOH +8362 2788 1 -0.847600 2.128505 16.483795 37.357864 # 1 HOH +8363 2788 2 0.423800 2.135955 17.477448 37.646091 # 2 HOH +8364 2788 2 0.423800 2.294223 16.577412 36.397415 # 2 HOH +8365 2789 1 -0.847600 24.271544 0.444985 6.188838 # 1 HOH +8366 2789 2 0.423800 23.274763 0.121416 6.534321 # 2 HOH +8367 2789 2 0.423800 24.736422 0.043046 7.019278 # 2 HOH +8368 2790 1 -0.847600 19.659754 18.473076 2.827476 # 1 HOH +8369 2790 2 0.423800 18.871988 18.065365 2.298800 # 2 HOH +8370 2790 2 0.423800 20.153032 19.158937 2.269671 # 2 HOH +8371 2791 1 -0.847600 1.345784 9.723859 16.895248 # 1 HOH +8372 2791 2 0.423800 0.620694 9.967979 16.346445 # 2 HOH +8373 2791 2 0.423800 2.021506 10.417869 16.714195 # 2 HOH +8374 2792 1 -0.847600 28.850121 17.601398 41.782658 # 1 HOH +8375 2792 2 0.423800 28.868322 18.607655 41.734856 # 2 HOH +8376 2792 2 0.423800 27.978609 17.283949 41.536728 # 2 HOH +8377 2793 1 -0.847600 13.079585 15.038900 34.831993 # 1 HOH +8378 2793 2 0.423800 14.025534 15.506484 34.743866 # 2 HOH +8379 2793 2 0.423800 12.492509 15.852844 35.043549 # 2 HOH +8380 2794 1 -0.847600 39.726006 2.177957 37.257385 # 1 HOH +8381 2794 2 0.423800 39.798725 2.274678 36.278324 # 2 HOH +8382 2794 2 0.423800 39.767181 3.173628 37.578835 # 2 HOH +8383 2795 1 -0.847600 16.910067 28.053505 6.861474 # 1 HOH +8384 2795 2 0.423800 16.851784 27.018286 6.887898 # 2 HOH +8385 2795 2 0.423800 17.680264 28.358932 7.400115 # 2 HOH +8386 2796 1 -0.847600 40.379078 36.466011 30.241499 # 1 HOH +8387 2796 2 0.423800 40.760643 37.334198 30.344791 # 2 HOH +8388 2796 2 0.423800 39.850491 36.491543 29.377760 # 2 HOH +8389 2797 1 -0.847600 6.432500 12.407735 10.216575 # 1 HOH +8390 2797 2 0.423800 5.584365 13.030602 10.189726 # 2 HOH +8391 2797 2 0.423800 5.978556 11.495533 10.271956 # 2 HOH +8392 2798 1 -0.847600 27.163687 31.009680 15.804903 # 1 HOH +8393 2798 2 0.423800 27.539766 30.377769 16.535059 # 2 HOH +8394 2798 2 0.423800 27.060625 31.796900 16.265577 # 2 HOH +8395 2799 1 -0.847600 19.904531 34.022202 34.794403 # 1 HOH +8396 2799 2 0.423800 19.319231 34.699516 35.330151 # 2 HOH +8397 2799 2 0.423800 20.060858 34.455494 33.934483 # 2 HOH +8398 2800 1 -0.847600 32.734547 42.042049 27.180141 # 1 HOH +8399 2800 2 0.423800 32.314232 42.933727 27.077293 # 2 HOH +8400 2800 2 0.423800 33.718742 42.207993 27.426474 # 2 HOH +8401 2801 1 -0.847600 13.160193 15.700530 7.856977 # 1 HOH +8402 2801 2 0.423800 13.743685 15.060696 8.359826 # 2 HOH +8403 2801 2 0.423800 13.720140 16.395220 7.470249 # 2 HOH +8404 2802 1 -0.847600 23.842825 31.851704 36.284763 # 1 HOH +8405 2802 2 0.423800 23.669985 31.602127 35.302864 # 2 HOH +8406 2802 2 0.423800 23.006145 32.307884 36.610516 # 2 HOH +8407 2803 1 -0.847600 30.736423 43.641132 4.851350 # 1 HOH +8408 2803 2 0.423800 31.079842 43.021179 5.491113 # 2 HOH +8409 2803 2 0.423800 31.230251 44.469234 5.264105 # 2 HOH +8410 2804 1 -0.847600 17.985958 13.144823 6.527647 # 1 HOH +8411 2804 2 0.423800 18.217289 14.065646 6.198678 # 2 HOH +8412 2804 2 0.423800 18.621820 12.539080 6.120473 # 2 HOH +8413 2805 1 -0.847600 7.090077 43.240101 37.800285 # 1 HOH +8414 2805 2 0.423800 7.458773 43.190338 38.693436 # 2 HOH +8415 2805 2 0.423800 6.418562 42.478111 37.637550 # 2 HOH +8416 2806 1 -0.847600 6.455404 24.796644 10.920491 # 1 HOH +8417 2806 2 0.423800 6.646910 25.339340 10.074914 # 2 HOH +8418 2806 2 0.423800 5.812847 25.390896 11.457899 # 2 HOH +8419 2807 1 -0.847600 32.965740 33.153641 20.201660 # 1 HOH +8420 2807 2 0.423800 33.929874 32.987720 20.240170 # 2 HOH +8421 2807 2 0.423800 32.845882 33.856918 20.873539 # 2 HOH +8422 2808 1 -0.847600 36.942131 4.113070 1.365040 # 1 HOH +8423 2808 2 0.423800 37.049812 4.110143 2.327084 # 2 HOH +8424 2808 2 0.423800 37.718475 3.598329 1.041652 # 2 HOH +8425 2809 1 -0.847600 0.973476 6.827678 30.633205 # 1 HOH +8426 2809 2 0.423800 0.183656 7.006730 31.322239 # 2 HOH +8427 2809 2 0.423800 0.897853 7.277316 29.685152 # 2 HOH +8428 2810 1 -0.847600 15.865365 2.010542 3.046519 # 1 HOH +8429 2810 2 0.423800 16.854460 2.056291 2.732485 # 2 HOH +8430 2810 2 0.423800 15.894304 1.925290 4.070347 # 2 HOH +8431 2811 1 -0.847600 35.922657 25.053411 30.597759 # 1 HOH +8432 2811 2 0.423800 35.446819 24.200407 30.158041 # 2 HOH +8433 2811 2 0.423800 35.328209 25.906260 30.395357 # 2 HOH +8434 2812 1 -0.847600 32.722553 16.374557 8.570930 # 1 HOH +8435 2812 2 0.423800 32.300663 15.795658 7.888465 # 2 HOH +8436 2812 2 0.423800 33.400215 15.807632 9.084930 # 2 HOH +8437 2813 1 -0.847600 26.414677 22.419226 20.088875 # 1 HOH +8438 2813 2 0.423800 25.655659 22.305384 19.441887 # 2 HOH +8439 2813 2 0.423800 27.230604 22.672054 19.391382 # 2 HOH +8440 2814 1 -0.847600 28.787632 14.674794 18.990715 # 1 HOH +8441 2814 2 0.423800 29.119221 15.427968 19.654024 # 2 HOH +8442 2814 2 0.423800 29.417280 14.838754 18.170404 # 2 HOH +8443 2815 1 -0.847600 26.869293 10.199944 1.662899 # 1 HOH +8444 2815 2 0.423800 27.022869 10.715244 2.470104 # 2 HOH +8445 2815 2 0.423800 27.602285 9.568288 1.784575 # 2 HOH +8446 2816 1 -0.847600 2.553825 28.641502 33.295036 # 1 HOH +8447 2816 2 0.423800 2.967071 27.926945 33.938141 # 2 HOH +8448 2816 2 0.423800 2.066522 29.250816 33.942783 # 2 HOH +8449 2817 1 -0.847600 2.047170 42.352196 14.529529 # 1 HOH +8450 2817 2 0.423800 2.563550 42.297894 13.752119 # 2 HOH +8451 2817 2 0.423800 1.135412 42.543835 14.057274 # 2 HOH +8452 2818 1 -0.847600 9.958435 -0.450362 20.023499 # 1 HOH +8453 2818 2 0.423800 10.347578 -1.344387 20.226259 # 2 HOH +8454 2818 2 0.423800 10.565316 0.285770 20.397598 # 2 HOH +8455 2819 1 -0.847600 41.289360 44.487114 13.643967 # 1 HOH +8456 2819 2 0.423800 42.118088 43.840210 13.556390 # 2 HOH +8457 2819 2 0.423800 41.154819 44.561913 14.552721 # 2 HOH +8458 2820 1 -0.847600 28.670881 3.132464 39.151699 # 1 HOH +8459 2820 2 0.423800 27.881582 2.620357 39.210445 # 2 HOH +8460 2820 2 0.423800 29.202827 2.929115 39.950100 # 2 HOH +8461 2821 1 -0.847600 34.414143 25.912210 40.032669 # 1 HOH +8462 2821 2 0.423800 35.266968 25.438433 40.181374 # 2 HOH +8463 2821 2 0.423800 33.647961 25.192768 39.964207 # 2 HOH +8464 2822 1 -0.847600 24.673046 26.755548 8.558807 # 1 HOH +8465 2822 2 0.423800 24.178656 27.169401 7.813380 # 2 HOH +8466 2822 2 0.423800 25.552301 27.280283 8.331053 # 2 HOH +8467 2823 1 -0.847600 27.075031 4.736957 4.376117 # 1 HOH +8468 2823 2 0.423800 28.080097 4.513518 4.680007 # 2 HOH +8469 2823 2 0.423800 26.607504 3.900062 4.523370 # 2 HOH +8470 2824 1 -0.847600 29.900602 18.899370 5.966571 # 1 HOH +8471 2824 2 0.423800 29.773119 17.953659 5.594170 # 2 HOH +8472 2824 2 0.423800 29.920321 19.430450 5.174389 # 2 HOH +8473 2825 1 -0.847600 30.080982 10.223532 23.468138 # 1 HOH +8474 2825 2 0.423800 30.350048 9.984179 24.389799 # 2 HOH +8475 2825 2 0.423800 30.870272 10.786534 23.034168 # 2 HOH +8476 2826 1 -0.847600 33.338413 3.273303 15.924467 # 1 HOH +8477 2826 2 0.423800 34.180695 3.009563 16.245758 # 2 HOH +8478 2826 2 0.423800 32.585556 2.673641 16.215893 # 2 HOH +8479 2827 1 -0.847600 11.613235 1.676964 20.642668 # 1 HOH +8480 2827 2 0.423800 11.363167 1.894576 19.717928 # 2 HOH +8481 2827 2 0.423800 12.641291 1.770084 20.830767 # 2 HOH +8482 2828 1 -0.847600 19.650293 43.098068 26.055689 # 1 HOH +8483 2828 2 0.423800 19.794977 43.295879 27.007088 # 2 HOH +8484 2828 2 0.423800 19.451521 42.085491 26.076544 # 2 HOH +8485 2829 1 -0.847600 0.817388 33.682877 22.214886 # 1 HOH +8486 2829 2 0.423800 0.931090 33.452194 21.284679 # 2 HOH +8487 2829 2 0.423800 0.734772 32.697151 22.545652 # 2 HOH +8488 2830 1 -0.847600 41.602432 8.966114 20.494112 # 1 HOH +8489 2830 2 0.423800 41.524200 8.297798 19.694464 # 2 HOH +8490 2830 2 0.423800 42.322559 9.576136 20.163261 # 2 HOH +8491 2831 1 -0.847600 0.668529 13.117756 42.035587 # 1 HOH +8492 2831 2 0.423800 -0.347893 13.064198 41.973419 # 2 HOH +8493 2831 2 0.423800 0.939979 14.021620 41.744892 # 2 HOH +8494 2832 1 -0.847600 27.325047 10.060688 29.844254 # 1 HOH +8495 2832 2 0.423800 27.979895 10.772754 30.069559 # 2 HOH +8496 2832 2 0.423800 27.182966 9.565919 30.659433 # 2 HOH +8497 2833 1 -0.847600 0.817476 21.116964 1.780563 # 1 HOH +8498 2833 2 0.423800 0.676116 20.242144 1.245744 # 2 HOH +8499 2833 2 0.423800 0.324384 20.891251 2.622060 # 2 HOH +8500 2834 1 -0.847600 21.827122 14.972142 25.997940 # 1 HOH +8501 2834 2 0.423800 21.230181 15.540078 26.459946 # 2 HOH +8502 2834 2 0.423800 21.827469 15.340815 25.119328 # 2 HOH +8503 2835 1 -0.847600 30.819752 26.540232 2.896264 # 1 HOH +8504 2835 2 0.423800 31.204927 25.621716 3.136421 # 2 HOH +8505 2835 2 0.423800 30.922115 27.034960 3.771868 # 2 HOH +8506 2836 1 -0.847600 29.214834 6.809390 10.252669 # 1 HOH +8507 2836 2 0.423800 28.531916 6.214104 10.473732 # 2 HOH +8508 2836 2 0.423800 28.931721 7.200281 9.388792 # 2 HOH +8509 2837 1 -0.847600 31.294060 32.981625 2.866865 # 1 HOH +8510 2837 2 0.423800 30.483629 33.281952 3.393703 # 2 HOH +8511 2837 2 0.423800 30.880819 33.354744 2.013897 # 2 HOH +8512 2838 1 -0.847600 2.212162 4.699190 34.301632 # 1 HOH +8513 2838 2 0.423800 1.997947 5.596091 34.392426 # 2 HOH +8514 2838 2 0.423800 1.824071 4.310930 35.198830 # 2 HOH +8515 2839 1 -0.847600 15.188019 41.325626 41.393196 # 1 HOH +8516 2839 2 0.423800 15.931754 41.693851 42.029823 # 2 HOH +8517 2839 2 0.423800 15.503614 40.346050 41.305752 # 2 HOH +8518 2840 1 -0.847600 9.151078 32.687157 37.735161 # 1 HOH +8519 2840 2 0.423800 8.668879 32.960880 38.545509 # 2 HOH +8520 2840 2 0.423800 8.967916 31.719828 37.521297 # 2 HOH +8521 2841 1 -0.847600 18.297855 45.324852 41.639671 # 1 HOH +8522 2841 2 0.423800 17.573460 45.176865 42.449833 # 2 HOH +8523 2841 2 0.423800 18.990984 44.523193 41.657654 # 2 HOH +8524 2842 1 -0.847600 8.480240 29.205942 1.673175 # 1 HOH +8525 2842 2 0.423800 8.972339 28.690847 2.348486 # 2 HOH +8526 2842 2 0.423800 7.537470 28.861881 1.805792 # 2 HOH +8527 2843 1 -0.847600 3.335911 39.335926 20.104841 # 1 HOH +8528 2843 2 0.423800 4.108850 40.020741 20.332987 # 2 HOH +8529 2843 2 0.423800 2.702116 39.963955 19.651468 # 2 HOH +8530 2844 1 -0.847600 28.686834 38.497581 0.551412 # 1 HOH +8531 2844 2 0.423800 28.664001 37.716934 1.202014 # 2 HOH +8532 2844 2 0.423800 27.914007 39.087337 0.875968 # 2 HOH +8533 2845 1 -0.847600 42.971607 33.535995 19.721498 # 1 HOH +8534 2845 2 0.423800 42.561119 34.084824 18.903065 # 2 HOH +8535 2845 2 0.423800 42.087063 33.113876 20.110525 # 2 HOH +8536 2846 1 -0.847600 21.123787 11.538559 41.131439 # 1 HOH +8537 2846 2 0.423800 21.210936 11.157660 42.047367 # 2 HOH +8538 2846 2 0.423800 20.556280 12.294238 41.230732 # 2 HOH +8539 2847 1 -0.847600 29.628193 34.244583 16.199945 # 1 HOH +8540 2847 2 0.423800 30.373997 33.547356 15.964665 # 2 HOH +8541 2847 2 0.423800 30.031530 34.870552 16.978132 # 2 HOH +8542 2848 1 -0.847600 17.618937 4.007477 42.113808 # 1 HOH +8543 2848 2 0.423800 17.009033 3.666960 41.515640 # 2 HOH +8544 2848 2 0.423800 17.320232 4.856776 42.402733 # 2 HOH +8545 2849 1 -0.847600 0.316455 9.211951 -0.070175 # 1 HOH +8546 2849 2 0.423800 1.234848 8.842127 -0.053577 # 2 HOH +8547 2849 2 0.423800 0.089625 9.563431 0.785771 # 2 HOH +8548 2850 1 -0.847600 20.058043 1.674509 25.804964 # 1 HOH +8549 2850 2 0.423800 20.482510 0.829059 26.227448 # 2 HOH +8550 2850 2 0.423800 20.362207 2.350496 26.410061 # 2 HOH +8551 2851 1 -0.847600 5.468065 33.522202 38.990913 # 1 HOH +8552 2851 2 0.423800 5.001045 34.251846 38.561337 # 2 HOH +8553 2851 2 0.423800 6.393394 33.935833 39.016304 # 2 HOH +8554 2852 1 -0.847600 33.753704 0.713942 9.903757 # 1 HOH +8555 2852 2 0.423800 33.860363 -0.323883 9.892537 # 2 HOH +8556 2852 2 0.423800 33.616787 1.004430 10.777761 # 2 HOH +8557 2853 1 -0.847600 1.952620 43.552063 41.124710 # 1 HOH +8558 2853 2 0.423800 1.613371 42.646858 41.348106 # 2 HOH +8559 2853 2 0.423800 1.284418 44.208366 41.373066 # 2 HOH +8560 2854 1 -0.847600 23.941313 20.861845 24.011522 # 1 HOH +8561 2854 2 0.423800 24.591829 20.060213 23.716578 # 2 HOH +8562 2854 2 0.423800 24.178703 21.222425 24.864302 # 2 HOH +8563 2855 1 -0.847600 25.179033 6.588819 2.482777 # 1 HOH +8564 2855 2 0.423800 25.736431 6.122345 1.688201 # 2 HOH +8565 2855 2 0.423800 24.260044 6.546448 2.126324 # 2 HOH +8566 2856 1 -0.847600 30.332079 16.180653 5.038012 # 1 HOH +8567 2856 2 0.423800 30.433325 16.059479 4.091100 # 2 HOH +8568 2856 2 0.423800 30.647284 15.352811 5.442902 # 2 HOH +8569 2857 1 -0.847600 40.000759 40.715874 6.042631 # 1 HOH +8570 2857 2 0.423800 39.305382 40.827133 5.325067 # 2 HOH +8571 2857 2 0.423800 39.523525 40.544472 6.913888 # 2 HOH +8572 2858 1 -0.847600 17.877979 3.790663 9.380437 # 1 HOH +8573 2858 2 0.423800 18.294111 4.660228 9.497406 # 2 HOH +8574 2858 2 0.423800 18.670872 3.153821 9.648046 # 2 HOH +8575 2859 1 -0.847600 13.656746 1.899486 38.911110 # 1 HOH +8576 2859 2 0.423800 14.081545 2.669156 39.492241 # 2 HOH +8577 2859 2 0.423800 13.687445 1.127509 39.472305 # 2 HOH +8578 2860 1 -0.847600 37.543560 42.651920 38.697144 # 1 HOH +8579 2860 2 0.423800 38.507092 42.879261 38.605499 # 2 HOH +8580 2860 2 0.423800 37.326561 43.220684 39.489510 # 2 HOH +8581 2861 1 -0.847600 39.636101 5.348153 18.709499 # 1 HOH +8582 2861 2 0.423800 39.173645 5.128368 19.599813 # 2 HOH +8583 2861 2 0.423800 40.281895 4.627160 18.558733 # 2 HOH +8584 2862 1 -0.847600 5.590070 35.169151 42.534912 # 1 HOH +8585 2862 2 0.423800 5.195062 35.329838 41.590866 # 2 HOH +8586 2862 2 0.423800 6.365908 35.771744 42.635841 # 2 HOH +8587 2863 1 -0.847600 12.116493 20.245600 7.867380 # 1 HOH +8588 2863 2 0.423800 11.306927 20.627537 7.431133 # 2 HOH +8589 2863 2 0.423800 11.683168 19.632776 8.655098 # 2 HOH +8590 2864 1 -0.847600 11.382755 23.570263 3.613684 # 1 HOH +8591 2864 2 0.423800 11.597791 24.288500 2.975688 # 2 HOH +8592 2864 2 0.423800 10.719846 22.895727 3.099676 # 2 HOH +8593 2865 1 -0.847600 36.548069 23.915974 33.329185 # 1 HOH +8594 2865 2 0.423800 36.477875 24.027195 32.309589 # 2 HOH +8595 2865 2 0.423800 37.502773 23.822012 33.512024 # 2 HOH +8596 2866 1 -0.847600 13.332390 33.564564 39.672359 # 1 HOH +8597 2866 2 0.423800 13.975023 33.693821 40.427116 # 2 HOH +8598 2866 2 0.423800 12.645689 34.269043 39.728218 # 2 HOH +8599 2867 1 -0.847600 23.693897 43.424923 0.704836 # 1 HOH +8600 2867 2 0.423800 23.711088 44.314987 0.359784 # 2 HOH +8601 2867 2 0.423800 24.608116 43.272991 1.068526 # 2 HOH +8602 2868 1 -0.847600 9.479186 29.032480 32.727150 # 1 HOH +8603 2868 2 0.423800 8.556292 28.579273 32.844158 # 2 HOH +8604 2868 2 0.423800 9.436785 29.517275 31.831661 # 2 HOH +8605 2869 1 -0.847600 28.339626 29.875895 40.038525 # 1 HOH +8606 2869 2 0.423800 29.165712 29.374477 40.236183 # 2 HOH +8607 2869 2 0.423800 28.055748 30.208408 40.985180 # 2 HOH +8608 2870 1 -0.847600 19.079220 5.526645 11.956820 # 1 HOH +8609 2870 2 0.423800 19.355078 6.058052 12.852631 # 2 HOH +8610 2870 2 0.423800 19.839170 4.949708 11.748883 # 2 HOH +8611 2871 1 -0.847600 14.758899 20.503441 30.127758 # 1 HOH +8612 2871 2 0.423800 14.021020 19.935944 29.837120 # 2 HOH +8613 2871 2 0.423800 14.390202 20.801613 31.042938 # 2 HOH +8614 2872 1 -0.847600 11.416208 13.587955 42.608387 # 1 HOH +8615 2872 2 0.423800 11.674341 13.305079 43.533535 # 2 HOH +8616 2872 2 0.423800 12.166989 14.074884 42.171589 # 2 HOH +8617 2873 1 -0.847600 14.730291 45.161602 40.966965 # 1 HOH +8618 2873 2 0.423800 13.854973 44.538265 41.080750 # 2 HOH +8619 2873 2 0.423800 15.134511 45.034527 41.820538 # 2 HOH +8620 2874 1 -0.847600 7.314626 38.652260 31.921011 # 1 HOH +8621 2874 2 0.423800 7.208264 39.485130 31.417904 # 2 HOH +8622 2874 2 0.423800 6.860758 37.901905 31.445517 # 2 HOH +8623 2875 1 -0.847600 17.608313 19.331511 41.002083 # 1 HOH +8624 2875 2 0.423800 17.959932 20.140543 40.780201 # 2 HOH +8625 2875 2 0.423800 18.111704 18.658504 40.482349 # 2 HOH +8626 2876 1 -0.847600 33.862770 12.792733 31.392935 # 1 HOH +8627 2876 2 0.423800 33.583035 11.911451 30.946732 # 2 HOH +8628 2876 2 0.423800 33.123810 13.386400 31.305340 # 2 HOH +8629 2877 1 -0.847600 38.383125 15.863291 24.632481 # 1 HOH +8630 2877 2 0.423800 38.986301 15.909881 25.454803 # 2 HOH +8631 2877 2 0.423800 38.958492 16.034313 23.789297 # 2 HOH +8632 2878 1 -0.847600 4.215454 15.782046 32.269829 # 1 HOH +8633 2878 2 0.423800 3.298497 16.299459 32.277298 # 2 HOH +8634 2878 2 0.423800 4.225347 15.122280 33.004280 # 2 HOH +8635 2879 1 -0.847600 28.830265 30.412649 17.961061 # 1 HOH +8636 2879 2 0.423800 28.659819 30.259947 18.866354 # 2 HOH +8637 2879 2 0.423800 29.631205 31.057756 18.047123 # 2 HOH +8638 2880 1 -0.847600 6.855900 5.081287 4.276687 # 1 HOH +8639 2880 2 0.423800 6.667464 5.642160 3.495108 # 2 HOH +8640 2880 2 0.423800 7.810705 4.975924 4.415456 # 2 HOH + + Bonds + +1 1 1 2 +2 1 1 3 +3 1 4 5 +4 1 4 6 +5 1 7 8 +6 1 7 9 +7 1 10 11 +8 1 10 12 +9 1 13 14 +10 1 13 15 +11 1 16 17 +12 1 16 18 +13 1 19 20 +14 1 19 21 +15 1 22 23 +16 1 22 24 +17 1 25 26 +18 1 25 27 +19 1 28 29 +20 1 28 30 +21 1 31 32 +22 1 31 33 +23 1 34 35 +24 1 34 36 +25 1 37 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a/examples/gcmc/in.widom.spce b/examples/gcmc/in.widom.spce new file mode 100644 index 0000000000..1dd1f057cf --- /dev/null +++ b/examples/gcmc/in.widom.spce @@ -0,0 +1,38 @@ +units real +dimension 3 +boundary p p p +atom_style full + +pair_style lj/cut/coul/long 10.0 +bond_style harmonic +angle_style harmonic + +read_data data.spce + +molecule h2omol H2O.txt + +### Flexible SPC/E Potential Parameters ### +### Zhang et al., Fluid Phase Equilibria, 262 (2007) 210-216 ### +pair_coeff 1 1 0.1502629 3.1169 +pair_coeff 1 2 0.0341116368 2.04845 +pair_coeff 2 2 0.00774378 0.98 + +bond_coeff 1 176.864 0.9611 +angle_coeff 1 42.1845 109.4712 +kspace_style pppm 1.0e-4 + +fix mywidom all widom 10 20 0 29494 298 mol h2omol + +fix 2 all nvt temp 298.0 298.0 100.0 + +neighbor 2.0 bin +neigh_modify delay 10 every 2 check yes + + +#run variables +timestep 0.5 + +thermo 10 +thermo_style custom step etotal pe temp press vol density f_mywidom[1] f_mywidom[2] f_mywidom[3] + +run 100 diff --git a/examples/gcmc/log.30Jun20.widom.spce.g++.1 b/examples/gcmc/log.30Jun20.widom.spce.g++.1 new file mode 100644 index 0000000000..25aecc685d --- /dev/null +++ b/examples/gcmc/log.30Jun20.widom.spce.g++.1 @@ -0,0 +1,133 @@ +LAMMPS (30 Jun 2020) + using 1 OpenMP thread(s) per MPI task +units real +dimension 3 +boundary p p p +atom_style full + +pair_style lj/cut/coul/long 10.0 +bond_style harmonic +angle_style harmonic + +read_data data.spce + orthogonal box = (-0.031613 -0.023523 -0.085255) to (43.234352 44.939753 42.306533) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 8640 atoms + scanning bonds ... + 2 = max bonds/atom + scanning angles ... + 1 = max angles/atom + reading bonds ... + 5760 bonds + reading angles ... + 2880 angles + 2 = max # of 1-2 neighbors + 1 = max # of 1-3 neighbors + 1 = max # of 1-4 neighbors + 2 = max # of special neighbors + special bonds CPU = 0.008 seconds + read_data CPU = 0.028 seconds + +molecule h2omol H2O.txt +Read molecule template h2omol: + 1 molecules + 3 atoms with max type 2 + 2 bonds with max type 1 + 1 angles with max type 1 + 0 dihedrals with max type 0 + 0 impropers with max type 0 + +### Flexible SPC/E Potential Parameters ### +### Zhang et al., Fluid Phase Equilibria, 262 (2007) 210-216 ### +pair_coeff 1 1 0.1502629 3.1169 +pair_coeff 1 2 0.0341116368 2.04845 +pair_coeff 2 2 0.00774378 0.98 + +bond_coeff 1 176.864 0.9611 +angle_coeff 1 42.1845 109.4712 +kspace_style pppm 1.0e-4 + +fix mywidom all widom 10 20 0 29494 298 mol h2omol + +fix 2 all nvt temp 298.0 298.0 100.0 + +neighbor 2.0 bin +neigh_modify delay 10 every 2 check yes + + +#run variables +timestep 0.5 + +thermo 10 +thermo_style custom step etotal pe temp press vol density f_mywidom[1] f_mywidom[2] f_mywidom[3] + +run 100 +PPPM initialization ... + using 12-bit tables for long-range coulomb (src/kspace.cpp:330) + G vector (1/distance) = 0.2690183 + grid = 24 24 24 + stencil order = 5 + estimated absolute RMS force accuracy = 0.024843102 + estimated relative force accuracy = 7.4814263e-05 + using double precision FFTW3 + 3d grid and FFT values/proc = 29791 13824 +WARNING: Fix Widom using full_energy option (src/MC/fix_widom.cpp:297) +0 atoms in group FixWidom:widom_exclusion_group:mywidom +0 atoms in group FixWidom:rotation_gas_atoms:mywidom +WARNING: Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies (src/neighbor.cpp:487) +Neighbor list info ... + update every 2 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 12 + ghost atom cutoff = 12 + binsize = 6, bins = 8 8 8 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair lj/cut/coul/long, perpetual + attributes: half, newton on + pair build: half/bin/newton + stencil: half/bin/3d/newton + bin: standard +Per MPI rank memory allocation (min/avg/max) = 29.66 | 29.66 | 29.66 Mbytes +Step TotEng PotEng Temp Press Volume Density f_mywidom[1] f_mywidom[2] f_mywidom[3] + 0 -29703.973 -29703.973 0 -4764.5901 82468.116 1.9140713 0 0 82468.116 + 10 -29712.131 -31110.041 54.285179 -3154.4423 82468.116 1.9140713 241.93348 3.7366217e-178 82468.116 + 20 -29711.939 -32614.429 112.71273 -4216.1592 82468.116 1.9140713 16.095006 1.5716469e-12 82468.116 + 30 -29688.142 -32368.506 104.08688 -4093.6515 82468.116 1.9140713 5.7862327 5.7086352e-05 82468.116 + 40 -29662.343 -32252.144 100.57005 -1458.5339 82468.116 1.9140713 126.68071 1.2467216e-93 82468.116 + 50 -29646.78 -32837.635 123.91081 -4607.1155 82468.116 1.9140713 74.622397 1.8790479e-55 82468.116 + 60 -29628.968 -33001.229 130.9554 -4589.5296 82468.116 1.9140713 3.6575433 0.0020780497 82468.116 + 70 -29602.78 -32816.28 124.79023 -3082.1133 82468.116 1.9140713 13.983097 5.561247e-11 82468.116 + 80 -29577.552 -33141.454 138.39742 -6332.8138 82468.116 1.9140713 41.98931 1.6075608e-31 82468.116 + 90 -29550.865 -33792.115 164.70094 -4607.6419 82468.116 1.9140713 68.690681 4.2082269e-51 82468.116 + 100 -29515.107 -34052.782 176.21207 -3609.5709 82468.116 1.9140713 41.090597 7.3326206e-31 82468.116 +Loop time of 163.407 on 1 procs for 100 steps with 8640 atoms + +Performance: 0.026 ns/day, 907.819 hours/ns, 0.612 timesteps/s +99.8% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 8.5495 | 8.5495 | 8.5495 | 0.0 | 5.23 +Bond | 0.031981 | 0.031981 | 0.031981 | 0.0 | 0.02 +Kspace | 2.3995 | 2.3995 | 2.3995 | 0.0 | 1.47 +Neigh | 5.0542 | 5.0542 | 5.0542 | 0.0 | 3.09 +Comm | 0.051965 | 0.051965 | 0.051965 | 0.0 | 0.03 +Output | 0.0018802 | 0.0018802 | 0.0018802 | 0.0 | 0.00 +Modify | 147.31 | 147.31 | 147.31 | 0.0 | 90.15 +Other | | 0.003614 | | | 0.00 + +Nlocal: 8640.00 ave 8640 max 8640 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 23499.0 ave 23499 max 23499 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 3.27380e+06 ave 3.2738e+06 max 3.2738e+06 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 3273800 +Ave neighs/atom = 378.91204 +Ave special neighs/atom = 2.0000000 +Neighbor list builds = 220 +Dangerous builds = 0 +Total wall time: 0:02:44