lammps/examples/dreiding/data.dreiding

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76 KiB
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Created on Mon Oct 3 10:06:14 2011
384 atoms
320 bonds
448 angles
192 dihedrals
0 impropers
4 atom types
3 bond types
2 angle types
1 dihedral types
0 improper types
0.000000 19.996890 xlo xhi
0.000000 19.128160 ylo yhi
0.000000 19.469710 zlo zhi
Masses
1 1.0080 # H_
2 1.0080 # H___A
3 12.0110 # C_3
4 15.9994 # O_3
Bond Coeffs
1 350 1.42 # O_3 C_3
2 350 0.98 # O_3 H___A
3 350 1.09 # C_3 H_
Angle Coeffs
1 50 104.51 # X O_3 X
2 50 109.471 # X C_3 X
Dihedral Coeffs
1 0.333333 1 3 # X O_3 C_3 X
Atoms
1 444 3 0.03193 9.75768 9.43603 9.44978 0 0 0
2 444 4 -0.39965 9.07001 9.89252 10.61030 0 0 0
3 444 1 0.05269 9.56169 8.37372 9.30573 0 0 0
4 444 1 0.05269 9.40633 9.98872 8.57739 0 0 0
5 444 1 0.05269 10.83081 9.58873 9.56849 0 0 0
6 444 2 0.20964 9.28861 10.84826 10.67569 0 0 0
7 444 3 0.03193 7.87790 6.57305 4.37926 0 0 0
8 444 4 -0.39965 9.21046 6.55811 3.88167 0 0 0
9 444 1 0.05269 7.42565 7.54437 4.17519 0 0 0
10 444 1 0.05269 7.28908 5.79550 3.89029 0 0 0
11 444 1 0.05269 7.88159 6.39628 5.45605 0 0 0
12 444 2 0.20964 9.55621 5.66386 4.09964 0 0 0
13 444 3 0.03193 19.38728 8.01844 0.29841 0 0 0
14 444 4 -0.39965 18.30059 8.67235 0.94403 0 0 0
15 444 1 0.05269 20.09420 7.66052 1.04704 0 0 0
16 444 1 0.05269 19.01558 7.17130 -0.27928 0 0 0
17 444 1 0.05269 19.89453 8.71684 -0.36839 0 0 0
18 444 2 0.20964 17.72537 8.98355 0.21436 0 0 0
19 444 3 0.03193 3.43963 14.29741 12.62221 0 0 0
20 444 4 -0.39965 3.07671 15.61822 12.23631 0 0 0
21 444 1 0.05269 4.27302 14.34187 13.32349 0 0 0
22 444 1 0.05269 2.59308 13.81008 13.10508 0 0 0
23 444 1 0.05269 3.73991 13.72415 11.74356 0 0 0
24 444 2 0.20964 2.32966 15.52033 11.61130 0 0 0
25 444 3 0.03193 16.06751 17.84957 14.39706 0 0 0
26 444 4 -0.39965 15.98970 19.07282 15.11734 0 0 0
27 444 1 0.05269 16.77526 17.18402 14.89204 0 0 0
28 444 1 0.05269 15.08510 17.37867 14.36938 0 0 0
29 444 1 0.05269 16.40684 18.04085 13.37809 0 0 0
30 444 2 0.20964 15.35997 19.62900 14.61094 0 0 0
31 444 3 0.03193 5.61540 13.90261 0.28024 0 0 0
32 444 4 -0.39965 6.96329 14.33980 0.39819 0 0 0
33 444 1 0.05269 5.39381 13.18200 1.06831 0 0 0
34 444 1 0.05269 4.93854 14.75467 0.36989 0 0 0
35 444 1 0.05269 5.46825 13.42632 -0.68848 0 0 0
36 444 2 0.20964 7.08381 14.99923 -0.31851 0 0 0
37 444 3 0.03193 10.38444 13.74977 1.74423 0 0 0
38 444 4 -0.39965 10.34865 13.00890 2.96031 0 0 0
39 444 1 0.05269 11.31498 14.30998 1.68756 0 0 0
40 444 1 0.05269 10.32135 13.06875 0.89580 0 0 0
41 444 1 0.05269 9.54190 14.44190 1.71309 0 0 0
42 444 2 0.20964 9.45315 12.60486 2.98815 0 0 0
43 444 3 0.03193 2.71877 -0.19852 13.91482 0 0 0
44 444 4 -0.39965 2.55981 1.00656 13.16980 0 0 0
45 444 1 0.05269 3.42887 -0.85053 13.40421 0 0 0
46 444 1 0.05269 3.09835 0.02977 14.91227 0 0 0
47 444 1 0.05269 1.76062 -0.71177 13.99933 0 0 0
48 444 2 0.20964 1.92580 1.55260 13.68058 0 0 0
49 444 3 0.03193 12.86271 12.87291 9.10254 0 0 0
50 444 4 -0.39965 12.72964 12.19590 7.85730 0 0 0
51 444 1 0.05269 11.91715 12.83126 9.64447 0 0 0
52 444 1 0.05269 13.63913 12.39659 9.70188 0 0 0
53 444 1 0.05269 13.12955 13.91577 8.92585 0 0 0
54 444 2 0.20964 13.60640 12.28637 7.42000 0 0 0
55 444 3 0.03193 0.91345 1.84436 7.21758 0 0 0
56 444 4 -0.39965 0.16704 0.83109 7.88260 0 0 0
57 444 1 0.05269 1.73149 1.39473 6.65448 0 0 0
58 444 1 0.05269 0.25949 2.38287 6.53090 0 0 0
59 444 1 0.05269 1.31674 2.54212 7.95173 0 0 0
60 444 2 0.20964 0.79209 0.41480 8.51642 0 0 0
61 444 3 0.03193 3.28235 16.40235 6.34784 0 0 0
62 444 4 -0.39965 4.40446 15.86811 5.64397 0 0 0
63 444 1 0.05269 3.52775 16.47384 7.40940 0 0 0
64 444 1 0.05269 3.04852 17.39543 5.96551 0 0 0
65 444 1 0.05269 2.41989 15.75077 6.22278 0 0 0
66 444 2 0.20964 4.15040 15.88018 4.69552 0 0 0
67 444 3 0.03193 14.28685 11.84833 2.69644 0 0 0
68 444 4 -0.39965 14.47540 12.00775 4.09802 0 0 0
69 444 1 0.05269 15.22519 11.52503 2.24449 0 0 0
70 444 1 0.05269 13.51978 11.09713 2.50925 0 0 0
71 444 1 0.05269 13.98187 12.79680 2.25228 0 0 0
72 444 2 0.20964 13.60420 12.29868 4.44979 0 0 0
73 444 3 0.03193 3.74650 0.37490 9.28202 0 0 0
74 444 4 -0.39965 4.68624 1.26369 8.68537 0 0 0
75 444 1 0.05269 4.28178 -0.38700 9.84868 0 0 0
76 444 1 0.05269 3.08874 0.92642 9.95440 0 0 0
77 444 1 0.05269 3.15691 -0.10643 8.50276 0 0 0
78 444 2 0.20964 4.15269 1.92251 8.18619 0 0 0
79 444 3 0.03193 17.93191 1.98830 17.28592 0 0 0
80 444 4 -0.39965 16.68990 1.36769 17.60090 0 0 0
81 444 1 0.05269 18.23740 2.63433 18.10865 0 0 0
82 444 1 0.05269 18.69345 1.22519 17.12938 0 0 0
83 444 1 0.05269 17.82727 2.59026 16.38313 0 0 0
84 444 2 0.20964 16.45659 0.83462 16.81232 0 0 0
85 444 3 0.03193 4.61466 10.52979 17.10957 0 0 0
86 444 4 -0.39965 3.62035 11.42538 17.60198 0 0 0
87 444 1 0.05269 5.60177 10.98718 17.19552 0 0 0
88 444 1 0.05269 4.60514 9.60666 17.68872 0 0 0
89 444 1 0.05269 4.42040 10.30112 16.06086 0 0 0
90 444 2 0.20964 2.76200 10.96432 17.46823 0 0 0
91 444 3 0.03193 4.21479 2.76452 1.93621 0 0 0
92 444 4 -0.39965 3.45640 2.43822 3.09183 0 0 0
93 444 1 0.05269 5.15561 3.22498 2.23935 0 0 0
94 444 1 0.05269 4.42333 1.85922 1.36296 0 0 0
95 444 1 0.05269 3.65868 3.46500 1.31342 0 0 0
96 444 2 0.20964 2.68968 1.92747 2.75853 0 0 0
97 444 3 0.03193 2.10781 10.76856 1.36312 0 0 0
98 444 4 -0.39965 0.80698 11.27394 1.07892 0 0 0
99 444 1 0.05269 2.85114 11.53660 1.14272 0 0 0
100 444 1 0.05269 2.17873 10.49350 2.41651 0 0 0
101 444 1 0.05269 2.31220 9.89096 0.74802 0 0 0
102 444 2 0.20964 0.18009 10.55168 1.30975 0 0 0
103 444 3 0.03193 16.26093 8.92927 6.57643 0 0 0
104 444 4 -0.39965 15.77968 8.06983 7.60177 0 0 0
105 444 1 0.05269 17.30509 9.17300 6.76897 0 0 0
106 444 1 0.05269 16.18069 8.42876 5.61195 0 0 0
107 444 1 0.05269 15.67380 9.84869 6.55835 0 0 0
108 444 2 0.20964 14.84042 7.91008 7.37720 0 0 0
109 444 3 0.03193 17.80004 2.06792 1.87371 0 0 0
110 444 4 -0.39965 18.48862 0.99081 1.24012 0 0 0
111 444 1 0.05269 18.23871 2.25534 2.85453 0 0 0
112 444 1 0.05269 17.87937 2.96817 1.26859 0 0 0
113 444 1 0.05269 16.74643 1.80633 1.99693 0 0 0
114 444 2 0.20964 18.02202 0.85350 0.38356 0 0 0
115 444 3 0.03193 13.75521 14.57173 15.42181 0 0 0
116 444 4 -0.39965 12.73183 15.48504 15.80455 0 0 0
117 444 1 0.05269 14.51862 14.53760 16.20019 0 0 0
118 444 1 0.05269 13.33164 13.57618 15.29114 0 0 0
119 444 1 0.05269 14.21175 14.89091 14.48437 0 0 0
120 444 2 0.20964 12.11746 15.52768 15.03694 0 0 0
121 444 3 0.03193 6.22569 16.46321 11.49168 0 0 0
122 444 4 -0.39965 7.37834 15.65849 11.27192 0 0 0
123 444 1 0.05269 6.47325 17.50688 11.31115 0 0 0
124 444 1 0.05269 5.42639 16.16714 10.80967 0 0 0
125 444 1 0.05269 5.88670 16.35324 12.52283 0 0 0
126 444 2 0.20964 7.09224 14.73066 11.41776 0 0 0
127 444 3 0.03193 20.01012 9.33317 4.86657 0 0 0
128 444 4 -0.39965 19.63827 8.14994 5.56401 0 0 0
129 444 1 0.05269 20.82510 9.82112 5.40128 0 0 0
130 444 1 0.05269 20.34186 9.07963 3.85908 0 0 0
131 444 1 0.05269 19.16051 10.01349 4.80673 0 0 0
132 444 2 0.20964 18.86130 7.79949 5.07585 0 0 0
133 444 3 0.03193 5.99486 1.97634 5.72513 0 0 0
134 444 4 -0.39965 6.74021 3.13466 6.08586 0 0 0
135 444 1 0.05269 4.92875 2.19578 5.79288 0 0 0
136 444 1 0.05269 6.23376 1.68432 4.70221 0 0 0
137 444 1 0.05269 6.23815 1.15441 6.40034 0 0 0
138 444 2 0.20964 7.67684 2.83917 6.07790 0 0 0
139 444 3 0.03193 13.03835 7.12913 5.28770 0 0 0
140 444 4 -0.39965 13.02644 7.55487 6.64544 0 0 0
141 444 1 0.05269 12.06949 6.70203 5.02747 0 0 0
142 444 1 0.05269 13.24117 7.98172 4.63978 0 0 0
143 444 1 0.05269 13.81531 6.37647 5.14697 0 0 0
144 444 2 0.20964 12.38966 8.29858 6.65964 0 0 0
145 444 3 0.03193 10.64649 1.42163 6.99575 0 0 0
146 444 4 -0.39965 11.32932 1.55767 8.23581 0 0 0
147 444 1 0.05269 9.77461 0.78340 7.13967 0 0 0
148 444 1 0.05269 10.32031 2.40213 6.64261 0 0 0
149 444 1 0.05269 11.30461 0.96891 6.25436 0 0 0
150 444 2 0.20964 12.13048 2.09412 8.04749 0 0 0
151 444 3 0.03193 7.70974 10.56643 0.43745 0 0 0
152 444 4 -0.39965 6.69643 10.25499 1.38817 0 0 0
153 444 1 0.05269 8.59868 10.91732 0.96199 0 0 0
154 444 1 0.05269 7.96121 9.67471 -0.13665 0 0 0
155 444 1 0.05269 7.36428 11.34806 -0.24011 0 0 0
156 444 2 0.20964 5.94241 9.89154 0.87302 0 0 0
157 444 3 0.03193 12.78344 1.18067 14.16301 0 0 0
158 444 4 -0.39965 14.01647 1.62010 13.60417 0 0 0
159 444 1 0.05269 12.98217 0.47776 14.97222 0 0 0
160 444 1 0.05269 12.23227 2.03435 14.55662 0 0 0
161 444 1 0.05269 12.18352 0.68832 13.39874 0 0 0
162 444 2 0.20964 13.77530 2.26070 12.89474 0 0 0
163 444 3 0.03193 16.94139 17.42253 1.05686 0 0 0
164 444 4 -0.39965 16.08424 16.29569 1.04946 0 0 0
165 444 1 0.05269 17.18791 17.69368 0.02960 0 0 0
166 444 1 0.05269 16.43795 18.25970 1.54236 0 0 0
167 444 1 0.05269 17.85566 17.18021 1.60025 0 0 0
168 444 2 0.20964 15.85827 16.14412 1.99459 0 0 0
169 444 3 0.03193 12.48878 18.07306 2.58158 0 0 0
170 444 4 -0.39965 13.76343 18.70451 2.65479 0 0 0
171 444 1 0.05269 12.02971 18.30966 1.62310 0 0 0
172 444 1 0.05269 12.61189 16.99304 2.67149 0 0 0
173 444 1 0.05269 11.85062 18.43623 3.38623 0 0 0
174 444 2 0.20964 14.05960 18.54980 3.57438 0 0 0
175 444 3 0.03193 19.92937 14.32320 3.09954 0 0 0
176 444 4 -0.39965 20.47921 14.98239 4.23349 0 0 0
177 444 1 0.05269 19.06424 14.88021 2.74247 0 0 0
178 444 1 0.05269 20.67424 14.26863 2.30532 0 0 0
179 444 1 0.05269 19.62003 13.31457 3.37662 0 0 0
180 444 2 0.20964 21.24382 14.42340 4.50083 0 0 0
181 444 3 0.03193 10.63009 10.62036 5.48247 0 0 0
182 444 4 -0.39965 11.32080 9.96459 6.53930 0 0 0
183 444 1 0.05269 9.97896 9.90801 4.97371 0 0 0
184 444 1 0.05269 10.02580 11.43533 5.88411 0 0 0
185 444 1 0.05269 11.34799 11.02578 4.76860 0 0 0
186 444 2 0.20964 11.85790 10.67095 6.95281 0 0 0
187 444 3 0.03193 15.65699 9.09727 17.99408 0 0 0
188 444 4 -0.39965 16.90142 9.78939 17.98916 0 0 0
189 444 1 0.05269 15.04412 9.44428 18.82685 0 0 0
190 444 1 0.05269 15.12611 9.28242 17.05809 0 0 0
191 444 1 0.05269 15.82887 8.02576 18.10423 0 0 0
192 444 2 0.20964 17.40700 9.38003 17.24481 0 0 0
193 444 3 0.03193 17.18063 5.09511 5.97377 0 0 0
194 444 4 -0.39965 17.00699 3.69621 6.16625 0 0 0
195 444 1 0.05269 16.80087 5.38050 4.99222 0 0 0
196 444 1 0.05269 16.63290 5.63866 6.74297 0 0 0
197 444 1 0.05269 18.23947 5.34654 6.03632 0 0 0
198 444 2 0.20964 17.37922 3.51369 7.05728 0 0 0
199 444 3 0.03193 9.27176 16.96360 18.60348 0 0 0
200 444 4 -0.39965 10.16048 17.88001 19.23027 0 0 0
201 444 1 0.05269 8.24372 17.25233 18.82182 0 0 0
202 444 1 0.05269 9.42846 16.97594 17.52377 0 0 0
203 444 1 0.05269 9.45162 15.95835 18.98512 0 0 0
204 444 2 0.20964 11.05433 17.57777 18.98374 0 0 0
205 444 3 0.03193 19.02698 11.32629 8.74382 0 0 0
206 444 4 -0.39965 19.55395 11.57496 7.44476 0 0 0
207 444 1 0.05269 19.84306 11.28874 9.46486 0 0 0
208 444 1 0.05269 18.34041 12.12651 9.02172 0 0 0
209 444 1 0.05269 18.49941 10.37268 8.75573 0 0 0
210 444 2 0.20964 18.77484 11.55877 6.84653 0 0 0
211 444 3 0.03193 13.70984 17.91381 18.18096 0 0 0
212 444 4 -0.39965 12.78082 16.86629 18.42949 0 0 0
213 444 1 0.05269 14.65264 17.49419 17.82801 0 0 0
214 444 1 0.05269 13.30579 18.58561 17.42320 0 0 0
215 444 1 0.05269 13.88737 18.47185 19.10049 0 0 0
216 444 2 0.20964 12.70938 16.39241 17.57615 0 0 0
217 444 3 0.03193 7.96084 1.88854 9.90132 0 0 0
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260 444 4 -0.39965 20.08805 2.12898 14.66921 0 0 0
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322 444 1 0.05269 3.63556 9.54427 11.48302 0 0 0
323 444 1 0.05269 2.05382 9.65342 12.29226 0 0 0
324 444 2 0.20964 1.90245 9.98881 10.05330 0 0 0
325 444 3 0.03193 16.09537 13.47946 18.75299 0 0 0
326 444 4 -0.39965 15.35647 12.29789 19.02596 0 0 0
327 444 1 0.05269 15.44738 14.34606 18.88103 0 0 0
328 444 1 0.05269 16.93959 13.54850 19.44072 0 0 0
329 444 1 0.05269 16.46394 13.45617 17.72675 0 0 0
330 444 2 0.20964 15.94172 11.56097 18.74998 0 0 0
331 444 3 0.03193 5.36713 6.40841 19.02468 0 0 0
332 444 4 -0.39965 6.23337 6.92207 18.01801 0 0 0
333 444 1 0.05269 4.33549 6.65297 18.77623 0 0 0
334 444 1 0.05269 5.47707 5.32425 19.08654 0 0 0
335 444 1 0.05269 5.62819 6.85675 19.98559 0 0 0
336 444 2 0.20964 7.13950 6.67949 18.31120 0 0 0
337 444 3 0.03193 1.77513 13.81811 9.21198 0 0 0
338 444 4 -0.39965 0.83100 14.28966 10.16552 0 0 0
339 444 1 0.05269 1.29728 13.75593 8.23483 0 0 0
340 444 1 0.05269 2.62178 14.50388 9.15673 0 0 0
341 444 1 0.05269 2.12880 12.82836 9.50371 0 0 0
342 444 2 0.20964 1.30194 14.30478 11.02173 0 0 0
343 444 3 0.03193 21.59943 4.06368 17.75073 0 0 0
344 444 4 -0.39965 21.85233 3.04768 18.71336 0 0 0
345 444 1 0.05269 22.11092 3.81498 16.82008 0 0 0
346 444 1 0.05269 20.52800 4.13659 17.56408 0 0 0
347 444 1 0.05269 21.97071 5.01986 18.11886 0 0 0
348 444 2 0.20964 21.40074 3.34325 19.53474 0 0 0
349 444 3 0.03193 16.52622 4.73908 13.63762 0 0 0
350 444 4 -0.39965 15.55282 5.45454 14.38889 0 0 0
351 444 1 0.05269 16.03370 3.96708 13.04616 0 0 0
352 444 1 0.05269 17.05262 5.42291 12.96909 0 0 0
353 444 1 0.05269 17.24076 4.27126 14.31456 0 0 0
354 444 2 0.20964 16.06701 6.07053 14.95693 0 0 0
355 444 3 0.03193 20.20141 14.20302 18.50889 0 0 0
356 444 4 -0.39965 21.44729 13.78288 19.04009 0 0 0
357 444 1 0.05269 20.32931 15.13613 17.95996 0 0 0
358 444 1 0.05269 19.81275 13.43791 17.83324 0 0 0
359 444 1 0.05269 19.48848 14.36395 19.32079 0 0 0
360 444 2 0.20964 21.25026 12.96615 19.54627 0 0 0
361 444 3 0.03193 3.32298 14.94425 16.50422 0 0 0
362 444 4 -0.39965 4.38694 14.00670 16.37303 0 0 0
363 444 1 0.05269 3.54498 15.83135 15.91086 0 0 0
364 444 1 0.05269 2.39143 14.50263 16.15017 0 0 0
365 444 1 0.05269 3.21366 15.23418 17.54978 0 0 0
366 444 2 0.20964 4.09659 13.20452 16.85511 0 0 0
367 444 3 0.03193 10.00891 1.19780 16.80998 0 0 0
368 444 4 -0.39965 10.58951 1.67540 18.01757 0 0 0
369 444 1 0.05269 8.95573 0.97837 16.97853 0 0 0
370 444 1 0.05269 10.09279 1.95889 16.03422 0 0 0
371 444 1 0.05269 10.51430 0.28729 16.48583 0 0 0
372 444 2 0.20964 11.54632 1.78202 17.83462 0 0 0
373 444 3 0.03193 1.31776 5.21190 2.64974 0 0 0
374 444 4 -0.39965 0.78156 4.20400 1.79964 0 0 0
375 444 1 0.05269 2.00060 5.84322 2.08036 0 0 0
376 444 1 0.05269 0.50993 5.82499 3.05018 0 0 0
377 444 1 0.05269 1.85905 4.74873 3.47448 0 0 0
378 444 2 0.20964 0.20631 3.65922 2.38482 0 0 0
379 444 3 0.03193 5.74906 1.64126 13.27894 0 0 0
380 444 4 -0.39965 5.74933 0.96366 14.53304 0 0 0
381 444 1 0.05269 5.05775 2.48272 13.31880 0 0 0
382 444 1 0.05269 6.74849 2.01315 13.05234 0 0 0
383 444 1 0.05269 5.43187 0.95557 12.49248 0 0 0
384 444 2 0.20964 6.42516 0.25912 14.43537 0 0 0
Bonds
1 1 1 2
2 3 1 3
3 3 1 4
4 3 1 5
5 2 2 6
6 1 7 8
7 3 7 9
8 3 7 10
9 3 7 11
10 2 8 12
11 1 13 14
12 3 13 15
13 3 13 16
14 3 13 17
15 2 14 18
16 1 19 20
17 3 19 21
18 3 19 22
19 3 19 23
20 2 20 24
21 1 25 26
22 3 25 27
23 3 25 28
24 3 25 29
25 2 26 30
26 1 31 32
27 3 31 33
28 3 31 34
29 3 31 35
30 2 32 36
31 1 37 38
32 3 37 39
33 3 37 40
34 3 37 41
35 2 38 42
36 1 43 44
37 3 43 45
38 3 43 46
39 3 43 47
40 2 44 48
41 1 49 50
42 3 49 51
43 3 49 52
44 3 49 53
45 2 50 54
46 1 55 56
47 3 55 57
48 3 55 58
49 3 55 59
50 2 56 60
51 1 61 62
52 3 61 63
53 3 61 64
54 3 61 65
55 2 62 66
56 1 67 68
57 3 67 69
58 3 67 70
59 3 67 71
60 2 68 72
61 1 73 74
62 3 73 75
63 3 73 76
64 3 73 77
65 2 74 78
66 1 79 80
67 3 79 81
68 3 79 82
69 3 79 83
70 2 80 84
71 1 85 86
72 3 85 87
73 3 85 88
74 3 85 89
75 2 86 90
76 1 91 92
77 3 91 93
78 3 91 94
79 3 91 95
80 2 92 96
81 1 97 98
82 3 97 99
83 3 97 100
84 3 97 101
85 2 98 102
86 1 103 104
87 3 103 105
88 3 103 106
89 3 103 107
90 2 104 108
91 1 109 110
92 3 109 111
93 3 109 112
94 3 109 113
95 2 110 114
96 1 115 116
97 3 115 117
98 3 115 118
99 3 115 119
100 2 116 120
101 1 121 122
102 3 121 123
103 3 121 124
104 3 121 125
105 2 122 126
106 1 127 128
107 3 127 129
108 3 127 130
109 3 127 131
110 2 128 132
111 1 133 134
112 3 133 135
113 3 133 136
114 3 133 137
115 2 134 138
116 1 139 140
117 3 139 141
118 3 139 142
119 3 139 143
120 2 140 144
121 1 145 146
122 3 145 147
123 3 145 148
124 3 145 149
125 2 146 150
126 1 151 152
127 3 151 153
128 3 151 154
129 3 151 155
130 2 152 156
131 1 157 158
132 3 157 159
133 3 157 160
134 3 157 161
135 2 158 162
136 1 163 164
137 3 163 165
138 3 163 166
139 3 163 167
140 2 164 168
141 1 169 170
142 3 169 171
143 3 169 172
144 3 169 173
145 2 170 174
146 1 175 176
147 3 175 177
148 3 175 178
149 3 175 179
150 2 176 180
151 1 181 182
152 3 181 183
153 3 181 184
154 3 181 185
155 2 182 186
156 1 187 188
157 3 187 189
158 3 187 190
159 3 187 191
160 2 188 192
161 1 193 194
162 3 193 195
163 3 193 196
164 3 193 197
165 2 194 198
166 1 199 200
167 3 199 201
168 3 199 202
169 3 199 203
170 2 200 204
171 1 205 206
172 3 205 207
173 3 205 208
174 3 205 209
175 2 206 210
176 1 211 212
177 3 211 213
178 3 211 214
179 3 211 215
180 2 212 216
181 1 217 218
182 3 217 219
183 3 217 220
184 3 217 221
185 2 218 222
186 1 223 224
187 3 223 225
188 3 223 226
189 3 223 227
190 2 224 228
191 1 229 230
192 3 229 231
193 3 229 232
194 3 229 233
195 2 230 234
196 1 235 236
197 3 235 237
198 3 235 238
199 3 235 239
200 2 236 240
201 1 241 242
202 3 241 243
203 3 241 244
204 3 241 245
205 2 242 246
206 1 247 248
207 3 247 249
208 3 247 250
209 3 247 251
210 2 248 252
211 1 253 254
212 3 253 255
213 3 253 256
214 3 253 257
215 2 254 258
216 1 259 260
217 3 259 261
218 3 259 262
219 3 259 263
220 2 260 264
221 1 265 266
222 3 265 267
223 3 265 268
224 3 265 269
225 2 266 270
226 1 271 272
227 3 271 273
228 3 271 274
229 3 271 275
230 2 272 276
231 1 277 278
232 3 277 279
233 3 277 280
234 3 277 281
235 2 278 282
236 1 283 284
237 3 283 285
238 3 283 286
239 3 283 287
240 2 284 288
241 1 289 290
242 3 289 291
243 3 289 292
244 3 289 293
245 2 290 294
246 1 295 296
247 3 295 297
248 3 295 298
249 3 295 299
250 2 296 300
251 1 301 302
252 3 301 303
253 3 301 304
254 3 301 305
255 2 302 306
256 1 307 308
257 3 307 309
258 3 307 310
259 3 307 311
260 2 308 312
261 1 313 314
262 3 313 315
263 3 313 316
264 3 313 317
265 2 314 318
266 1 319 320
267 3 319 321
268 3 319 322
269 3 319 323
270 2 320 324
271 1 325 326
272 3 325 327
273 3 325 328
274 3 325 329
275 2 326 330
276 1 331 332
277 3 331 333
278 3 331 334
279 3 331 335
280 2 332 336
281 1 337 338
282 3 337 339
283 3 337 340
284 3 337 341
285 2 338 342
286 1 343 344
287 3 343 345
288 3 343 346
289 3 343 347
290 2 344 348
291 1 349 350
292 3 349 351
293 3 349 352
294 3 349 353
295 2 350 354
296 1 355 356
297 3 355 357
298 3 355 358
299 3 355 359
300 2 356 360
301 1 361 362
302 3 361 363
303 3 361 364
304 3 361 365
305 2 362 366
306 1 367 368
307 3 367 369
308 3 367 370
309 3 367 371
310 2 368 372
311 1 373 374
312 3 373 375
313 3 373 376
314 3 373 377
315 2 374 378
316 1 379 380
317 3 379 381
318 3 379 382
319 3 379 383
320 2 380 384
Angles
1 2 3 1 2
2 2 4 1 2
3 2 4 1 3
4 2 5 1 2
5 2 5 1 3
6 2 5 1 4
7 1 6 2 1
8 1 7 8 12
9 2 8 7 10
10 2 8 7 11
11 2 9 7 8
12 2 9 7 10
13 2 9 7 11
14 2 11 7 10
15 2 15 13 14
16 2 16 13 14
17 2 16 13 15
18 2 17 13 14
19 2 17 13 15
20 2 17 13 16
21 1 18 14 13
22 2 21 19 20
23 2 22 19 20
24 2 22 19 21
25 2 23 19 20
26 2 23 19 21
27 2 23 19 22
28 1 24 20 19
29 2 27 25 26
30 2 28 25 26
31 2 28 25 27
32 2 29 25 26
33 2 29 25 27
34 2 29 25 28
35 1 30 26 25
36 2 33 31 32
37 2 34 31 32
38 2 34 31 33
39 2 35 31 32
40 2 35 31 33
41 2 35 31 34
42 1 36 32 31
43 2 39 37 38
44 2 40 37 38
45 2 40 37 39
46 2 41 37 38
47 2 41 37 39
48 2 41 37 40
49 1 42 38 37
50 2 45 43 44
51 2 46 43 44
52 2 46 43 45
53 2 47 43 44
54 2 47 43 45
55 2 47 43 46
56 1 48 44 43
57 2 51 49 50
58 2 52 49 50
59 2 52 49 51
60 2 53 49 50
61 2 53 49 51
62 2 53 49 52
63 1 54 50 49
64 2 57 55 56
65 2 58 55 56
66 2 58 55 57
67 2 59 55 56
68 2 59 55 57
69 2 59 55 58
70 1 60 56 55
71 2 63 61 62
72 2 64 61 62
73 2 64 61 63
74 2 65 61 62
75 2 65 61 63
76 2 65 61 64
77 1 66 62 61
78 2 69 67 68
79 2 70 67 68
80 2 70 67 69
81 2 71 67 68
82 2 71 67 69
83 2 71 67 70
84 1 72 68 67
85 2 75 73 74
86 2 76 73 74
87 2 76 73 75
88 2 77 73 74
89 2 77 73 75
90 2 77 73 76
91 1 78 74 73
92 2 81 79 80
93 2 82 79 80
94 2 82 79 81
95 2 83 79 80
96 2 83 79 81
97 2 83 79 82
98 1 84 80 79
99 2 87 85 86
100 2 88 85 86
101 2 88 85 87
102 2 89 85 86
103 2 89 85 87
104 2 89 85 88
105 1 90 86 85
106 2 93 91 92
107 2 94 91 92
108 2 94 91 93
109 2 95 91 92
110 2 95 91 93
111 2 95 91 94
112 1 96 92 91
113 1 97 98 102
114 2 98 97 100
115 2 98 97 101
116 2 99 97 98
117 2 99 97 100
118 2 99 97 101
119 2 101 97 100
120 2 105 103 104
121 2 106 103 104
122 2 106 103 105
123 2 107 103 104
124 2 107 103 105
125 2 107 103 106
126 1 108 104 103
127 2 111 109 110
128 2 112 109 110
129 2 112 109 111
130 2 113 109 110
131 2 113 109 111
132 2 113 109 112
133 1 114 110 109
134 2 117 115 116
135 2 118 115 116
136 2 118 115 117
137 2 119 115 116
138 2 119 115 117
139 2 119 115 118
140 1 120 116 115
141 2 123 121 122
142 2 124 121 122
143 2 124 121 123
144 2 125 121 122
145 2 125 121 123
146 2 125 121 124
147 1 126 122 121
148 2 129 127 128
149 2 130 127 128
150 2 130 127 129
151 2 131 127 128
152 2 131 127 129
153 2 131 127 130
154 1 132 128 127
155 2 135 133 134
156 2 136 133 134
157 2 136 133 135
158 2 137 133 134
159 2 137 133 135
160 2 137 133 136
161 1 138 134 133
162 2 141 139 140
163 2 142 139 140
164 2 142 139 141
165 2 143 139 140
166 2 143 139 141
167 2 143 139 142
168 1 144 140 139
169 2 147 145 146
170 2 148 145 146
171 2 148 145 147
172 2 149 145 146
173 2 149 145 147
174 2 149 145 148
175 1 150 146 145
176 2 153 151 152
177 2 154 151 152
178 2 154 151 153
179 2 155 151 152
180 2 155 151 153
181 2 155 151 154
182 1 156 152 151
183 2 159 157 158
184 2 160 157 158
185 2 160 157 159
186 2 161 157 158
187 2 161 157 159
188 2 161 157 160
189 1 162 158 157
190 2 165 163 164
191 2 166 163 164
192 2 166 163 165
193 2 167 163 164
194 2 167 163 165
195 2 167 163 166
196 1 168 164 163
197 2 171 169 170
198 2 172 169 170
199 2 172 169 171
200 2 173 169 170
201 2 173 169 171
202 2 173 169 172
203 1 174 170 169
204 2 177 175 176
205 2 178 175 176
206 2 178 175 177
207 2 179 175 176
208 2 179 175 177
209 2 179 175 178
210 1 180 176 175
211 2 183 181 182
212 2 184 181 182
213 2 184 181 183
214 2 185 181 182
215 2 185 181 183
216 2 185 181 184
217 1 186 182 181
218 2 189 187 188
219 2 190 187 188
220 2 190 187 189
221 2 191 187 188
222 2 191 187 189
223 2 191 187 190
224 1 192 188 187
225 2 195 193 194
226 2 196 193 194
227 2 196 193 195
228 2 197 193 194
229 2 197 193 195
230 2 197 193 196
231 1 198 194 193
232 2 201 199 200
233 2 202 199 200
234 2 202 199 201
235 2 203 199 200
236 2 203 199 201
237 2 203 199 202
238 1 204 200 199
239 2 207 205 206
240 2 208 205 206
241 2 208 205 207
242 2 209 205 206
243 2 209 205 207
244 2 209 205 208
245 1 210 206 205
246 2 213 211 212
247 2 214 211 212
248 2 214 211 213
249 2 215 211 212
250 2 215 211 213
251 2 215 211 214
252 1 216 212 211
253 2 219 217 218
254 2 220 217 218
255 2 220 217 219
256 2 221 217 218
257 2 221 217 219
258 2 221 217 220
259 1 222 218 217
260 2 225 223 224
261 2 226 223 224
262 2 226 223 225
263 2 227 223 224
264 2 227 223 225
265 2 227 223 226
266 1 228 224 223
267 2 231 229 230
268 2 232 229 230
269 2 232 229 231
270 2 233 229 230
271 2 233 229 231
272 2 233 229 232
273 1 234 230 229
274 2 237 235 236
275 2 238 235 236
276 2 238 235 237
277 2 239 235 236
278 2 239 235 237
279 2 239 235 238
280 1 240 236 235
281 2 243 241 242
282 2 244 241 242
283 2 244 241 243
284 2 245 241 242
285 2 245 241 243
286 2 245 241 244
287 1 246 242 241
288 2 249 247 248
289 2 250 247 248
290 2 250 247 249
291 2 251 247 248
292 2 251 247 249
293 2 251 247 250
294 1 252 248 247
295 2 255 253 254
296 2 256 253 254
297 2 256 253 255
298 2 257 253 254
299 2 257 253 255
300 2 257 253 256
301 1 258 254 253
302 2 261 259 260
303 2 262 259 260
304 2 262 259 261
305 2 263 259 260
306 2 263 259 261
307 2 263 259 262
308 1 264 260 259
309 2 267 265 266
310 2 268 265 266
311 2 268 265 267
312 2 269 265 266
313 2 269 265 267
314 2 269 265 268
315 1 270 266 265
316 2 273 271 272
317 2 274 271 272
318 2 274 271 273
319 2 275 271 272
320 2 275 271 273
321 2 275 271 274
322 1 276 272 271
323 2 279 277 278
324 2 280 277 278
325 2 280 277 279
326 2 281 277 278
327 2 281 277 279
328 2 281 277 280
329 1 282 278 277
330 2 285 283 284
331 2 286 283 284
332 2 286 283 285
333 2 287 283 284
334 2 287 283 285
335 2 287 283 286
336 1 288 284 283
337 2 291 289 290
338 2 292 289 290
339 2 292 289 291
340 2 293 289 290
341 2 293 289 291
342 2 293 289 292
343 1 294 290 289
344 2 297 295 296
345 2 298 295 296
346 2 298 295 297
347 2 299 295 296
348 2 299 295 297
349 2 299 295 298
350 1 300 296 295
351 2 303 301 302
352 2 304 301 302
353 2 304 301 303
354 2 305 301 302
355 2 305 301 303
356 2 305 301 304
357 1 306 302 301
358 2 309 307 308
359 2 310 307 308
360 2 310 307 309
361 2 311 307 308
362 2 311 307 309
363 2 311 307 310
364 1 312 308 307
365 2 315 313 314
366 2 316 313 314
367 2 316 313 315
368 2 317 313 314
369 2 317 313 315
370 2 317 313 316
371 1 318 314 313
372 2 321 319 320
373 2 322 319 320
374 2 322 319 321
375 2 323 319 320
376 2 323 319 321
377 2 323 319 322
378 1 324 320 319
379 2 327 325 326
380 2 328 325 326
381 2 328 325 327
382 2 329 325 326
383 2 329 325 327
384 2 329 325 328
385 1 330 326 325
386 2 333 331 332
387 2 334 331 332
388 2 334 331 333
389 2 335 331 332
390 2 335 331 333
391 2 335 331 334
392 1 336 332 331
393 2 339 337 338
394 2 340 337 338
395 2 340 337 339
396 2 341 337 338
397 2 341 337 339
398 2 341 337 340
399 1 342 338 337
400 2 345 343 344
401 2 346 343 344
402 2 346 343 345
403 2 347 343 344
404 2 347 343 345
405 2 347 343 346
406 1 348 344 343
407 2 351 349 350
408 2 352 349 350
409 2 352 349 351
410 2 353 349 350
411 2 353 349 351
412 2 353 349 352
413 1 354 350 349
414 2 357 355 356
415 2 358 355 356
416 2 358 355 357
417 2 359 355 356
418 2 359 355 357
419 2 359 355 358
420 1 360 356 355
421 2 363 361 362
422 2 364 361 362
423 2 364 361 363
424 2 365 361 362
425 2 365 361 363
426 2 365 361 364
427 1 366 362 361
428 2 369 367 368
429 2 370 367 368
430 2 370 367 369
431 2 371 367 368
432 2 371 367 369
433 2 371 367 370
434 1 372 368 367
435 2 375 373 374
436 2 376 373 374
437 2 376 373 375
438 2 377 373 374
439 2 377 373 375
440 2 377 373 376
441 1 378 374 373
442 2 381 379 380
443 2 382 379 380
444 2 382 379 381
445 2 383 379 380
446 2 383 379 381
447 2 383 379 382
448 1 384 380 379
Dihedrals
1 1 6 2 1 3
2 1 6 2 1 4
3 1 6 2 1 5
4 1 9 7 8 12
5 1 12 8 7 10
6 1 12 8 7 11
7 1 18 14 13 15
8 1 18 14 13 16
9 1 18 14 13 17
10 1 24 20 19 21
11 1 24 20 19 22
12 1 24 20 19 23
13 1 30 26 25 27
14 1 30 26 25 28
15 1 30 26 25 29
16 1 36 32 31 33
17 1 36 32 31 34
18 1 36 32 31 35
19 1 42 38 37 39
20 1 42 38 37 40
21 1 42 38 37 41
22 1 48 44 43 45
23 1 48 44 43 46
24 1 48 44 43 47
25 1 54 50 49 51
26 1 54 50 49 52
27 1 54 50 49 53
28 1 60 56 55 57
29 1 60 56 55 58
30 1 60 56 55 59
31 1 66 62 61 63
32 1 66 62 61 64
33 1 66 62 61 65
34 1 72 68 67 69
35 1 72 68 67 70
36 1 72 68 67 71
37 1 78 74 73 75
38 1 78 74 73 76
39 1 78 74 73 77
40 1 84 80 79 81
41 1 84 80 79 82
42 1 84 80 79 83
43 1 90 86 85 87
44 1 90 86 85 88
45 1 90 86 85 89
46 1 96 92 91 93
47 1 96 92 91 94
48 1 96 92 91 95
49 1 99 97 98 102
50 1 102 98 97 100
51 1 102 98 97 101
52 1 108 104 103 105
53 1 108 104 103 106
54 1 108 104 103 107
55 1 114 110 109 111
56 1 114 110 109 112
57 1 114 110 109 113
58 1 120 116 115 117
59 1 120 116 115 118
60 1 120 116 115 119
61 1 126 122 121 123
62 1 126 122 121 124
63 1 126 122 121 125
64 1 132 128 127 129
65 1 132 128 127 130
66 1 132 128 127 131
67 1 138 134 133 135
68 1 138 134 133 136
69 1 138 134 133 137
70 1 144 140 139 141
71 1 144 140 139 142
72 1 144 140 139 143
73 1 150 146 145 147
74 1 150 146 145 148
75 1 150 146 145 149
76 1 156 152 151 153
77 1 156 152 151 154
78 1 156 152 151 155
79 1 162 158 157 159
80 1 162 158 157 160
81 1 162 158 157 161
82 1 168 164 163 165
83 1 168 164 163 166
84 1 168 164 163 167
85 1 174 170 169 171
86 1 174 170 169 172
87 1 174 170 169 173
88 1 180 176 175 177
89 1 180 176 175 178
90 1 180 176 175 179
91 1 186 182 181 183
92 1 186 182 181 184
93 1 186 182 181 185
94 1 192 188 187 189
95 1 192 188 187 190
96 1 192 188 187 191
97 1 198 194 193 195
98 1 198 194 193 196
99 1 198 194 193 197
100 1 204 200 199 201
101 1 204 200 199 202
102 1 204 200 199 203
103 1 210 206 205 207
104 1 210 206 205 208
105 1 210 206 205 209
106 1 216 212 211 213
107 1 216 212 211 214
108 1 216 212 211 215
109 1 222 218 217 219
110 1 222 218 217 220
111 1 222 218 217 221
112 1 228 224 223 225
113 1 228 224 223 226
114 1 228 224 223 227
115 1 234 230 229 231
116 1 234 230 229 232
117 1 234 230 229 233
118 1 240 236 235 237
119 1 240 236 235 238
120 1 240 236 235 239
121 1 246 242 241 243
122 1 246 242 241 244
123 1 246 242 241 245
124 1 252 248 247 249
125 1 252 248 247 250
126 1 252 248 247 251
127 1 258 254 253 255
128 1 258 254 253 256
129 1 258 254 253 257
130 1 264 260 259 261
131 1 264 260 259 262
132 1 264 260 259 263
133 1 270 266 265 267
134 1 270 266 265 268
135 1 270 266 265 269
136 1 276 272 271 273
137 1 276 272 271 274
138 1 276 272 271 275
139 1 282 278 277 279
140 1 282 278 277 280
141 1 282 278 277 281
142 1 288 284 283 285
143 1 288 284 283 286
144 1 288 284 283 287
145 1 294 290 289 291
146 1 294 290 289 292
147 1 294 290 289 293
148 1 300 296 295 297
149 1 300 296 295 298
150 1 300 296 295 299
151 1 306 302 301 303
152 1 306 302 301 304
153 1 306 302 301 305
154 1 312 308 307 309
155 1 312 308 307 310
156 1 312 308 307 311
157 1 318 314 313 315
158 1 318 314 313 316
159 1 318 314 313 317
160 1 324 320 319 321
161 1 324 320 319 322
162 1 324 320 319 323
163 1 330 326 325 327
164 1 330 326 325 328
165 1 330 326 325 329
166 1 336 332 331 333
167 1 336 332 331 334
168 1 336 332 331 335
169 1 342 338 337 339
170 1 342 338 337 340
171 1 342 338 337 341
172 1 348 344 343 345
173 1 348 344 343 346
174 1 348 344 343 347
175 1 354 350 349 351
176 1 354 350 349 352
177 1 354 350 349 353
178 1 360 356 355 357
179 1 360 356 355 358
180 1 360 356 355 359
181 1 366 362 361 363
182 1 366 362 361 364
183 1 366 362 361 365
184 1 372 368 367 369
185 1 372 368 367 370
186 1 372 368 367 371
187 1 378 374 373 375
188 1 378 374 373 376
189 1 378 374 373 377
190 1 384 380 379 381
191 1 384 380 379 382
192 1 384 380 379 383