forked from lijiext/lammps
26 lines
1.6 KiB
Plaintext
26 lines
1.6 KiB
Plaintext
!BIOSYM archive 3
|
|
PBC=ON
|
|
Materials Studio Generated CAR File
|
|
!DATE Tue Jul 02 12:43:30 2013
|
|
PBC 20.0000 20.0000 20.0000 90.0000 90.0000 90.0000 (P1)
|
|
H1 6.500000000 -9.500000000 -10.000000000 NAPH 1 h H 0.132
|
|
C2 7.599900000 -9.500000000 -10.000000000 NAPH 1 cp C -0.128
|
|
C3 8.288980000 -8.262840000 -10.000000000 NAPH 1 cp C -0.127
|
|
C4 9.661860000 -8.228710000 -10.001500000 NAPH 1 cp C -0.117
|
|
C5 10.406020000 -9.440000000 -10.006040000 NAPH 1 cp C -0.037
|
|
C6 9.719960000 -10.680950000 -10.004000000 NAPH 1 cp C -0.036
|
|
C7 8.297670000 -10.682850000 -10.001160000 NAPH 1 cp C -0.117
|
|
H8 7.705780000 -7.329930000 -9.996380000 NAPH 1 h H 0.131
|
|
H9 10.206130000 -7.272850000 -10.002830000 NAPH 1 h H 0.133
|
|
H10 7.770540000 -11.648530000 -10.000400000 NAPH 1 h H 0.132
|
|
C11 11.828680000 -9.441740000 -10.010130000 NAPH 1 cp C -0.119
|
|
C12 12.527620000 -10.622850000 -10.015250000 NAPH 1 cp C -0.127
|
|
C13 11.844840000 -11.863540000 -10.015940000 NAPH 1 cp C -0.127
|
|
C14 10.470950000 -11.888220000 -10.009030000 NAPH 1 cp C -0.118
|
|
H15 12.355170000 -8.475370000 -10.009670000 NAPH 1 h H 0.132
|
|
H16 13.627550000 -10.611020000 -10.018380000 NAPH 1 h H 0.131
|
|
H17 12.414260000 -12.804680000 -10.020060000 NAPH 1 h H 0.133
|
|
H18 9.938140000 -12.850570000 -10.009550000 NAPH 1 h H 0.131
|
|
end
|
|
end
|