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example_datafile
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LAMMPS data file
432 atoms
160 bonds
80 angles
0 dihedrals
0 impropers
4 atom types
2 bond types
1 angle types
0 dihedral types
0 improper types
0.00000 9.83800 xlo xhi
0.00000 8.52000 ylo yhi
-40.20000 40.20000 zlo zhi
Masses
1 12.01070000 # CAB
2 15.03450000 # CAC
3 12.01000000 # CG
4 14.00670000 # NAA
Bond Coeffs
1 380.0 1.46 # CAB-CAC
2 600.0 1.157 # CAB-NAA
Angle Coeffs
1 20.0 180.0 # CAC-CAB-NAA
Atoms
1 1 4 -0.39800000 8.851000 0.975000 -6.334999 # NAA
2 1 2 0.26900000 6.388000 1.419000 -5.554001 # CAC
3 1 1 0.12900000 7.619500 1.197000 -5.944500 # CAB
4 2 4 -0.39800000 5.977000 5.769000 -1.848000 # NAA
5 2 2 0.26900000 7.839000 6.896000 -3.309002 # CAC
6 2 1 0.12900000 6.908000 6.332500 -2.578501 # CAB
7 3 4 -0.39800000 6.122000 4.832000 12.683998 # NAA
8 3 2 0.26900000 3.792000 5.287000 13.798000 # CAC
9 3 1 0.12900000 4.957000 5.059500 13.240999 # CAB
10 4 4 -0.39800000 7.252000 2.530000 -13.560001 # NAA
11 4 2 0.26900000 5.037000 1.613000 -12.497002 # CAC
12 4 1 0.12900000 6.144500 2.071500 -13.028502 # CAB
13 5 4 -0.39800000 7.943000 7.526000 16.175999 # NAA
14 5 2 0.26900000 5.747000 6.680000 17.330997 # CAC
15 5 1 0.12900000 6.845000 7.103000 16.753498 # CAB
16 6 4 -0.39800000 8.580000 4.065000 20.260998 # NAA
17 6 2 0.26900000 8.245000 1.794000 21.528000 # CAC
18 6 1 0.12900000 8.412500 2.929500 20.894499 # CAB
19 7 4 -0.39800000 4.170000 7.521000 -26.691002 # NAA
20 7 2 0.26900000 1.643000 7.019000 -26.205002 # CAC
21 7 1 0.12900000 2.906500 7.270000 -26.448002 # CAB
22 8 4 -0.39800000 1.993000 7.526000 -9.664001 # NAA
23 8 2 0.26900000 3.949000 6.754000 -11.231001 # CAC
24 8 1 0.12900000 2.971000 7.140000 -10.447501 # CAB
25 9 4 -0.39800000 5.065000 3.007000 -18.692001 # NAA
26 9 2 0.26900000 4.842000 4.743000 -16.740002 # CAC
27 9 1 0.12900000 4.953500 3.875000 -17.716002 # CAB
28 10 4 -0.39800000 3.208000 1.517000 -18.274000 # NAA
29 10 2 0.26900000 1.940000 3.760000 -17.791000 # CAC
30 10 1 0.12900000 2.574000 2.638500 -18.032500 # CAB
31 11 4 -0.39800000 1.114000 3.761000 -25.317001 # NAA
32 11 2 0.26900000 1.504000 1.927000 -27.151001 # CAC
33 11 1 0.12900000 1.309000 2.844000 -26.234001 # CAB
34 12 4 -0.39800000 8.429000 7.530000 2.828999 # NAA
35 12 2 0.26900000 8.096000 7.019000 0.278999 # CAC
36 12 1 0.12900000 8.262500 7.274500 1.553999 # CAB
37 13 4 -0.39800000 5.829000 7.074000 14.202000 # NAA
38 13 2 0.26900000 8.310000 6.486000 13.591999 # CAC
39 13 1 0.12900000 7.069500 6.780000 13.896999 # CAB
40 14 4 -0.39800000 5.714000 1.534000 -0.882000 # NAA
41 14 2 0.26900000 8.188000 1.511000 -0.012001 # CAC
42 14 1 0.12900000 6.951000 1.522500 -0.447001 # CAB
43 15 4 -0.39800000 7.154000 2.226000 -17.805000 # NAA
44 15 2 0.26900000 5.409000 1.583000 -15.957001 # CAC
45 15 1 0.12900000 6.281500 1.904500 -16.881000 # CAB
46 16 4 -0.39800000 4.043000 3.453000 26.206997 # NAA
47 16 2 0.26900000 1.551000 3.726000 25.439999 # CAC
48 16 1 0.12900000 2.797000 3.589500 25.823498 # CAB
49 17 4 -0.39800000 8.697000 1.014000 -3.367001 # NAA
50 17 2 0.26900000 7.979000 3.452000 -2.722000 # CAC
51 17 1 0.12900000 8.338000 2.233000 -3.044500 # CAB
52 18 4 -0.39800000 1.083000 0.998000 23.978001 # NAA
53 18 2 0.26900000 3.526000 1.909000 23.702000 # CAC
54 18 1 0.12900000 2.304500 1.453500 23.840001 # CAB
55 19 4 -0.39800000 1.001000 4.596000 -14.555000 # NAA
56 19 2 0.26900000 1.813000 6.792000 -15.734001 # CAC
57 19 1 0.12900000 1.407000 5.694000 -15.144500 # CAB
58 20 4 -0.39800000 5.096000 6.425000 8.608997 # NAA
59 20 2 0.26900000 7.096000 6.906000 10.233997 # CAC
60 20 1 0.12900000 6.096000 6.665500 9.421497 # CAB
61 21 4 -0.39800000 8.839000 1.126000 10.568001 # NAA
62 21 2 0.26900000 6.664000 1.456000 11.994999 # CAC
63 21 1 0.12900000 7.751500 1.291000 11.281500 # CAB
64 22 4 -0.39800000 1.495000 7.521000 -22.815001 # NAA
65 22 2 0.26900000 3.945000 7.084000 -21.987001 # CAC
66 22 1 0.12900000 2.720000 7.302500 -22.401001 # CAB
67 23 4 -0.39800000 8.132000 5.150000 2.758999 # NAA
68 23 2 0.26900000 6.189000 4.509000 1.118999 # CAC
69 23 1 0.12900000 7.160500 4.829500 1.938999 # CAB
70 24 4 -0.39800000 8.330000 2.514000 -19.877001 # NAA
71 24 2 0.26900000 6.020000 1.626000 -20.742001 # CAC
72 24 1 0.12900000 7.175000 2.070000 -20.309501 # CAB
73 25 4 -0.39800000 3.704000 7.525000 -18.358002 # NAA
74 25 2 0.26900000 1.727000 6.610000 -19.817001 # CAC
75 25 1 0.12900000 2.715500 7.067500 -19.087502 # CAB
76 26 4 -0.39800000 8.845000 3.311000 -5.583000 # NAA
77 26 2 0.26900000 8.036000 3.398000 -8.075001 # CAC
78 26 1 0.12900000 8.440500 3.354500 -6.829001 # CAB
79 27 4 -0.39800000 3.581000 3.512000 -9.962000 # NAA
80 27 2 0.26900000 3.106000 5.012000 -7.865002 # CAC
81 27 1 0.12900000 3.343500 4.262000 -8.913501 # CAB
82 28 4 -0.39800000 6.159000 5.144000 26.732998 # NAA
83 28 2 0.26900000 7.225000 6.450000 24.724003 # CAC
84 28 1 0.12900000 6.692000 5.797000 25.728500 # CAB
85 29 4 -0.39800000 4.161000 7.531000 11.090000 # NAA
86 29 2 0.26900000 1.724000 7.043000 11.927998 # CAC
87 29 1 0.12900000 2.942500 7.287000 11.508999 # CAB
88 30 4 -0.39800000 1.000000 1.413000 -23.328001 # NAA
89 30 2 0.26900000 1.580000 1.692000 -20.786001 # CAC
90 30 1 0.12900000 1.290000 1.552500 -22.057001 # CAB
91 31 4 -0.39800000 3.369000 0.997000 6.346001 # NAA
92 31 2 0.26900000 5.905000 1.664000 6.395000 # CAC
93 31 1 0.12900000 4.637000 1.330500 6.370501 # CAB
94 32 4 -0.39800000 3.943000 3.723000 -0.688999 # NAA
95 32 2 0.26900000 3.233000 1.560000 0.612000 # CAC
96 32 1 0.12900000 3.588000 2.641500 -0.038500 # CAB
97 33 4 -0.39800000 1.000000 1.258000 -16.845001 # NAA
98 33 2 0.26900000 1.815000 1.881000 -14.432001 # CAC
99 33 1 0.12900000 1.407500 1.569500 -15.638501 # CAB
100 34 4 -0.39800000 8.666000 2.286000 -25.629002 # NAA
101 34 2 0.26900000 7.118000 1.669000 -27.653000 # CAC
102 34 1 0.12900000 7.892000 1.977500 -26.641001 # CAB
103 35 4 -0.39800000 0.994000 3.886000 18.003998 # NAA
104 35 2 0.26900000 1.437000 3.246000 15.500000 # CAC
105 35 1 0.12900000 1.215500 3.566000 16.751999 # CAB
106 36 4 -0.39800000 5.321000 2.583000 -8.051003 # NAA
107 36 2 0.26900000 2.973000 2.222000 -6.941002 # CAC
108 36 1 0.12900000 4.147000 2.402500 -7.496002 # CAB
109 37 4 -0.39800000 4.446000 4.347000 -13.809000 # NAA
110 37 2 0.26900000 5.292000 6.801000 -14.175001 # CAC
111 37 1 0.12900000 4.869000 5.574000 -13.992000 # CAB
112 38 4 -0.39800000 8.743000 1.220000 18.677998 # NAA
113 38 2 0.26900000 6.278000 2.004000 19.105999 # CAC
114 38 1 0.12900000 7.510500 1.612000 18.891998 # CAB
115 39 4 -0.39800000 8.839000 5.348000 22.320999 # NAA
116 39 2 0.26900000 6.877000 6.643000 21.160000 # CAC
117 39 1 0.12900000 7.858000 5.995500 21.740499 # CAB
118 40 4 -0.39800000 3.743000 7.513000 19.566998 # NAA
119 40 2 0.26900000 3.791000 4.904000 19.311001 # CAC
120 40 1 0.12900000 3.767000 6.208500 19.439000 # CAB
121 41 4 -0.39800000 8.753000 1.092000 8.169998 # NAA
122 41 2 0.26900000 8.137000 3.638000 8.280998 # CAC
123 41 1 0.12900000 8.445000 2.365000 8.225498 # CAB
124 42 4 -0.39800000 5.206000 3.183000 -2.656002 # NAA
125 42 2 0.26900000 3.256000 1.631000 -3.473000 # CAC
126 42 1 0.12900000 4.231000 2.407000 -3.064501 # CAB
127 43 4 -0.39800000 5.329000 4.553000 -4.622002 # NAA
128 43 2 0.26900000 4.715000 7.010000 -5.299999 # CAC
129 43 1 0.12900000 5.022000 5.781500 -4.961000 # CAB
130 44 4 -0.39800000 8.840000 7.324000 -17.161001 # NAA
131 44 2 0.26900000 8.391000 4.818000 -17.785000 # CAC
132 44 1 0.12900000 8.615500 6.071000 -17.473000 # CAB
133 45 4 -0.39800000 8.837000 0.999000 24.786999 # NAA
134 45 2 0.26900000 7.856000 2.655000 26.565998 # CAC
135 45 1 0.12900000 8.346500 1.827000 25.676499 # CAB
136 46 4 -0.39800000 8.876000 2.870000 2.813000 # NAA
137 46 2 0.26900000 6.417000 1.964000 2.903000 # CAC
138 46 1 0.12900000 7.646500 2.417000 2.858000 # CAB
139 47 4 -0.39800000 0.967000 6.087000 0.590000 # NAA
140 47 2 0.26900000 3.255000 6.955000 -0.350002 # CAC
141 47 1 0.12900000 2.111000 6.521000 0.119999 # CAB
142 48 4 -0.39800000 0.984000 3.204000 11.528000 # NAA
143 48 2 0.26900000 2.322000 4.812000 9.946999 # CAC
144 48 1 0.12900000 1.653000 4.008000 10.737500 # CAB
145 49 4 -0.39800000 1.029000 1.212000 19.030998 # NAA
146 49 2 0.26900000 1.447000 2.783000 21.089001 # CAC
147 49 1 0.12900000 1.238000 1.997500 20.059999 # CAB
148 50 4 -0.39800000 7.317000 7.271000 -10.969000 # NAA
149 50 2 0.26900000 5.868000 7.043000 -8.796001 # CAC
150 50 1 0.12900000 6.592500 7.157000 -9.882500 # CAB
151 51 4 -0.39800000 8.677000 6.078000 -9.260000 # NAA
152 51 2 0.26900000 8.121000 6.209000 -6.701000 # CAC
153 51 1 0.12900000 8.399000 6.143500 -7.980500 # CAB
154 52 4 -0.39800000 8.321000 4.301000 -24.326000 # NAA
155 52 2 0.26900000 8.328000 5.546000 -26.634001 # CAC
156 52 1 0.12900000 8.324500 4.923500 -25.480001 # CAB
157 53 4 -0.39800000 5.710000 7.522000 6.564999 # NAA
158 53 2 0.26900000 8.222000 6.774000 6.611000 # CAC
159 53 1 0.12900000 6.966000 7.148000 6.588000 # CAB
160 54 4 -0.39800000 5.284000 3.058000 14.526001 # NAA
161 54 2 0.26900000 3.342000 1.630000 13.493000 # CAC
162 54 1 0.12900000 4.313000 2.344000 14.009501 # CAB
163 55 4 -0.39800000 4.258000 5.085000 -19.710001 # NAA
164 55 2 0.26900000 6.378000 6.598000 -19.409000 # CAC
165 55 1 0.12900000 5.318000 5.841500 -19.559500 # CAB
166 56 4 -0.39800000 6.226000 0.996000 23.646999 # NAA
167 56 2 0.26900000 6.635000 3.585000 23.728001 # CAC
168 56 1 0.12900000 6.430500 2.290500 23.687500 # CAB
169 57 4 -0.39800000 8.843000 7.461000 -14.765001 # NAA
170 57 2 0.26900000 8.100000 5.283000 -13.508001 # CAC
171 57 1 0.12900000 8.471500 6.372000 -14.136501 # CAB
172 58 4 -0.39800000 3.859000 5.302000 -2.871002 # NAA
173 58 2 0.26900000 1.626000 4.128000 -2.157001 # CAC
174 58 1 0.12900000 2.742500 4.715000 -2.514002 # CAB
175 59 4 -0.39800000 8.841000 4.361000 -21.422001 # NAA
176 59 2 0.26900000 8.311000 6.872000 -21.957001 # CAC
177 59 1 0.12900000 8.576000 5.616500 -21.689501 # CAB
178 60 4 -0.39800000 4.479000 4.147000 7.537998 # NAA
179 60 2 0.26900000 5.430000 3.400000 9.864998 # CAC
180 60 1 0.12900000 4.954500 3.773500 8.701498 # CAB
181 61 4 -0.39800000 4.059000 0.997000 3.980999 # NAA
182 61 2 0.26900000 1.497000 1.529000 3.806000 # CAC
183 61 1 0.12900000 2.778000 1.263000 3.893499 # CAB
184 62 4 -0.39800000 3.617000 3.292000 -25.667000 # NAA
185 62 2 0.26900000 3.658000 4.421000 -28.033001 # CAC
186 62 1 0.12900000 3.637500 3.856500 -26.850001 # CAB
187 63 4 -0.39800000 2.710000 7.522000 3.057999 # NAA
188 63 2 0.26900000 5.292000 7.084000 3.170998 # CAC
189 63 1 0.12900000 4.001000 7.303000 3.114498 # CAB
190 64 4 -0.39800000 8.849000 2.872000 -11.637001 # NAA
191 64 2 0.26900000 6.520000 3.916000 -11.035000 # CAC
192 64 1 0.12900000 7.684500 3.394000 -11.336001 # CAB
193 65 4 -0.39800000 5.468000 5.011000 5.366001 # NAA
194 65 2 0.26900000 3.370000 6.528000 5.780998 # CAC
195 65 1 0.12900000 4.419000 5.769500 5.573500 # CAB
196 66 4 -0.39800000 2.055000 5.455000 -23.902000 # NAA
197 66 2 0.26900000 3.486000 3.614000 -22.703001 # CAC
198 66 1 0.12900000 2.770500 4.534500 -23.302501 # CAB
199 67 4 -0.39800000 1.002000 3.445000 0.587997 # NAA
200 67 2 0.26900000 2.574000 4.563000 2.362999 # CAC
201 67 1 0.12900000 1.788000 4.004000 1.475498 # CAB
202 68 4 -0.39800000 0.982000 6.791000 -13.046001 # NAA
203 68 2 0.26900000 1.681000 4.619000 -11.753000 # CAC
204 68 1 0.12900000 1.331500 5.705000 -12.399501 # CAB
205 69 4 -0.39800000 3.919000 3.207000 5.040001 # NAA
206 69 2 0.26900000 1.572000 3.880000 5.998001 # CAC
207 69 1 0.12900000 2.745500 3.543500 5.519001 # CAB
208 70 4 -0.39800000 4.133000 7.521000 21.936001 # NAA
209 70 2 0.26900000 1.755000 6.416000 21.918999 # CAC
210 70 1 0.12900000 2.944000 6.968500 21.927500 # CAB
211 71 4 -0.39800000 5.317000 0.988000 15.770000 # NAA
212 71 2 0.26900000 3.361000 1.441000 17.455997 # CAC
213 71 1 0.12900000 4.339000 1.214500 16.612998 # CAB
214 72 4 -0.39800000 0.998000 6.782000 -2.688000 # NAA
215 72 2 0.26900000 1.657000 5.714000 -4.990002 # CAC
216 72 1 0.12900000 1.327500 6.248000 -3.839001 # CAB
217 73 4 -0.39800000 7.230000 7.520000 -24.656002 # NAA
218 73 2 0.26900000 5.506000 5.560000 -24.900002 # CAC
219 73 1 0.12900000 6.368000 6.540000 -24.778002 # CAB
220 74 4 -0.39800000 8.846000 6.768000 18.457001 # NAA
221 74 2 0.26900000 8.023000 4.549000 17.327000 # CAC
222 74 1 0.12900000 8.434500 5.658500 17.892001 # CAB
223 75 4 -0.39800000 4.029000 1.585000 8.704998 # NAA
224 75 2 0.26900000 1.412000 1.512000 8.847000 # CAC
225 75 1 0.12900000 2.720500 1.548500 8.775999 # CAB
226 76 4 -0.39800000 4.152000 0.997000 -9.485001 # NAA
227 76 2 0.26900000 1.613000 1.437000 -9.964001 # CAC
228 76 1 0.12900000 2.882500 1.217000 -9.724501 # CAB
229 77 4 -0.39800000 3.661000 7.545000 15.655998 # NAA
230 77 2 0.26900000 1.616000 6.650000 17.030998 # CAC
231 77 1 0.12900000 2.638500 7.097500 16.343498 # CAB
232 78 4 -0.39800000 1.178000 7.520000 24.674000 # NAA
233 78 2 0.26900000 3.663000 6.838000 25.159000 # CAC
234 78 1 0.12900000 2.420500 7.179000 24.916500 # CAB
235 79 4 -0.39800000 6.958000 3.407000 -22.563002 # NAA
236 79 2 0.26900000 6.088000 1.654000 -24.308001 # CAC
237 79 1 0.12900000 6.523000 2.530500 -23.435502 # CAB
238 80 4 -0.39800000 8.840000 3.563000 13.758999 # NAA
239 80 2 0.26900000 8.026000 1.933000 15.644001 # CAC
240 80 1 0.12900000 8.433000 2.748000 14.701500 # CAB
241 81 3 0.00000000 0.615000 1.065000 -38.525000 # CG
242 81 3 0.00000000 0.615000 3.905000 -38.525000 # CG
243 81 3 0.00000000 1.845000 1.775000 -38.525000 # CG
244 81 3 0.00000000 1.845000 3.195000 -38.525000 # CG
245 81 3 0.00000000 3.074000 1.065000 -38.525000 # CG
246 81 3 0.00000000 3.074000 3.905000 -38.525000 # CG
247 81 3 0.00000000 4.304000 1.775000 -38.525000 # CG
248 81 3 0.00000000 4.304000 3.195000 -38.525000 # CG
249 81 3 0.00000000 5.534000 1.065000 -38.525000 # CG
250 81 3 0.00000000 5.534000 3.905000 -38.525000 # CG
251 81 3 0.00000000 6.764000 1.775000 -38.525000 # CG
252 81 3 0.00000000 6.764000 3.195000 -38.525000 # CG
253 81 3 0.00000000 7.993000 1.065000 -38.525000 # CG
254 81 3 0.00000000 7.993000 3.905000 -38.525000 # CG
255 81 3 0.00000000 9.223000 1.775000 -38.525000 # CG
256 81 3 0.00000000 9.223000 3.195000 -38.525000 # CG
257 81 3 0.00000000 0.615000 5.325000 -38.525000 # CG
258 81 3 0.00000000 0.615000 8.165000 -38.525000 # CG
259 81 3 0.00000000 1.845000 6.035000 -38.525000 # CG
260 81 3 0.00000000 1.845000 7.455000 -38.525000 # CG
261 81 3 0.00000000 3.074000 5.325000 -38.525000 # CG
262 81 3 0.00000000 3.074000 8.165000 -38.525000 # CG
263 81 3 0.00000000 4.304000 6.035000 -38.525000 # CG
264 81 3 0.00000000 4.304000 7.455000 -38.525000 # CG
265 81 3 0.00000000 5.534000 5.325000 -38.525000 # CG
266 81 3 0.00000000 5.534000 8.165000 -38.525000 # CG
267 81 3 0.00000000 6.764000 6.035000 -38.525000 # CG
268 81 3 0.00000000 6.764000 7.455000 -38.525000 # CG
269 81 3 0.00000000 7.993000 5.325000 -38.525000 # CG
270 81 3 0.00000000 7.993000 8.165000 -38.525000 # CG
271 81 3 0.00000000 9.223000 6.035000 -38.525000 # CG
272 81 3 0.00000000 9.223000 7.455000 -38.525000 # CG
273 81 3 0.00000000 9.223000 0.355000 -35.175000 # CG
274 81 3 0.00000000 9.223000 3.195000 -35.175000 # CG
275 81 3 0.00000000 7.993000 1.065000 -35.175000 # CG
276 81 3 0.00000000 7.993000 2.485000 -35.175000 # CG
277 81 3 0.00000000 6.764000 0.355000 -35.175000 # CG
278 81 3 0.00000000 6.764000 3.195000 -35.175000 # CG
279 81 3 0.00000000 5.534000 1.065000 -35.175000 # CG
280 81 3 0.00000000 5.534000 2.485000 -35.175000 # CG
281 81 3 0.00000000 4.304000 0.355000 -35.175000 # CG
282 81 3 0.00000000 4.304000 3.195000 -35.175000 # CG
283 81 3 0.00000000 3.074000 1.065000 -35.175000 # CG
284 81 3 0.00000000 3.074000 2.485000 -35.175000 # CG
285 81 3 0.00000000 1.845000 0.355000 -35.175000 # CG
286 81 3 0.00000000 1.845000 3.195000 -35.175000 # CG
287 81 3 0.00000000 0.615000 1.065000 -35.175000 # CG
288 81 3 0.00000000 0.615000 2.485000 -35.175000 # CG
289 81 3 0.00000000 9.223000 4.615000 -35.175000 # CG
290 81 3 0.00000000 9.223000 7.455000 -35.175000 # CG
291 81 3 0.00000000 7.993000 5.325000 -35.175000 # CG
292 81 3 0.00000000 7.993000 6.745000 -35.175000 # CG
293 81 3 0.00000000 6.764000 4.615000 -35.175000 # CG
294 81 3 0.00000000 6.764000 7.455000 -35.175000 # CG
295 81 3 0.00000000 5.534000 5.325000 -35.175000 # CG
296 81 3 0.00000000 5.534000 6.745000 -35.175000 # CG
297 81 3 0.00000000 4.304000 4.615000 -35.175000 # CG
298 81 3 0.00000000 4.304000 7.455000 -35.175000 # CG
299 81 3 0.00000000 3.074000 5.325000 -35.175000 # CG
300 81 3 0.00000000 3.074000 6.745000 -35.175000 # CG
301 81 3 0.00000000 1.845000 4.615000 -35.175000 # CG
302 81 3 0.00000000 1.845000 7.455000 -35.175000 # CG
303 81 3 0.00000000 0.615000 5.325000 -35.175000 # CG
304 81 3 0.00000000 0.615000 6.745000 -35.175000 # CG
305 81 3 0.00000000 0.615000 1.065000 -31.825000 # CG
306 81 3 0.00000000 0.615000 3.905000 -31.825000 # CG
307 81 3 0.00000000 1.845000 1.775000 -31.825000 # CG
308 81 3 0.00000000 1.845000 3.195000 -31.825000 # CG
309 81 3 0.00000000 3.074000 1.065000 -31.825000 # CG
310 81 3 0.00000000 3.074000 3.905000 -31.825000 # CG
311 81 3 0.00000000 4.304000 1.775000 -31.825000 # CG
312 81 3 0.00000000 4.304000 3.195000 -31.825000 # CG
313 81 3 0.00000000 5.534000 1.065000 -31.825000 # CG
314 81 3 0.00000000 5.534000 3.905000 -31.825000 # CG
315 81 3 0.00000000 6.764000 1.775000 -31.825000 # CG
316 81 3 0.00000000 6.764000 3.195000 -31.825000 # CG
317 81 3 0.00000000 7.993000 1.065000 -31.825000 # CG
318 81 3 0.00000000 7.993000 3.905000 -31.825000 # CG
319 81 3 0.00000000 9.223000 1.775000 -31.825000 # CG
320 81 3 0.00000000 9.223000 3.195000 -31.825000 # CG
321 81 3 0.00000000 0.615000 5.325000 -31.825000 # CG
322 81 3 0.00000000 0.615000 8.165000 -31.825000 # CG
323 81 3 0.00000000 1.845000 6.035000 -31.825000 # CG
324 81 3 0.00000000 1.845000 7.455000 -31.825000 # CG
325 81 3 0.00000000 3.074000 5.325000 -31.825000 # CG
326 81 3 0.00000000 3.074000 8.165000 -31.825000 # CG
327 81 3 0.00000000 4.304000 6.035000 -31.825000 # CG
328 81 3 0.00000000 4.304000 7.455000 -31.825000 # CG
329 81 3 0.00000000 5.534000 5.325000 -31.825000 # CG
330 81 3 0.00000000 5.534000 8.165000 -31.825000 # CG
331 81 3 0.00000000 6.764000 6.035000 -31.825000 # CG
332 81 3 0.00000000 6.764000 7.455000 -31.825000 # CG
333 81 3 0.00000000 7.993000 5.325000 -31.825000 # CG
334 81 3 0.00000000 7.993000 8.165000 -31.825000 # CG
335 81 3 0.00000000 9.223000 6.035000 -31.825000 # CG
336 81 3 0.00000000 9.223000 7.455000 -31.825000 # CG
337 82 3 0.00000000 0.615000 1.065000 31.825000 # CG
338 82 3 0.00000000 0.615000 3.905000 31.825000 # CG
339 82 3 0.00000000 1.845000 1.775000 31.825000 # CG
340 82 3 0.00000000 1.845000 3.195000 31.825000 # CG
341 82 3 0.00000000 3.074000 1.065000 31.825000 # CG
342 82 3 0.00000000 3.074000 3.905000 31.825000 # CG
343 82 3 0.00000000 4.304000 1.775000 31.825000 # CG
344 82 3 0.00000000 4.304000 3.195000 31.825000 # CG
345 82 3 0.00000000 5.534000 1.065000 31.825000 # CG
346 82 3 0.00000000 5.534000 3.905000 31.825000 # CG
347 82 3 0.00000000 6.764000 1.775000 31.825000 # CG
348 82 3 0.00000000 6.764000 3.195000 31.825000 # CG
349 82 3 0.00000000 7.993000 1.065000 31.825000 # CG
350 82 3 0.00000000 7.993000 3.905000 31.825000 # CG
351 82 3 0.00000000 9.223000 1.775000 31.825000 # CG
352 82 3 0.00000000 9.223000 3.195000 31.825000 # CG
353 82 3 0.00000000 0.615000 5.325000 31.825000 # CG
354 82 3 0.00000000 0.615000 8.165000 31.825000 # CG
355 82 3 0.00000000 1.845000 6.035000 31.825000 # CG
356 82 3 0.00000000 1.845000 7.455000 31.825000 # CG
357 82 3 0.00000000 3.074000 5.325000 31.825000 # CG
358 82 3 0.00000000 3.074000 8.165000 31.825000 # CG
359 82 3 0.00000000 4.304000 6.035000 31.825000 # CG
360 82 3 0.00000000 4.304000 7.455000 31.825000 # CG
361 82 3 0.00000000 5.534000 5.325000 31.825000 # CG
362 82 3 0.00000000 5.534000 8.165000 31.825000 # CG
363 82 3 0.00000000 6.764000 6.035000 31.825000 # CG
364 82 3 0.00000000 6.764000 7.455000 31.825000 # CG
365 82 3 0.00000000 7.993000 5.325000 31.825000 # CG
366 82 3 0.00000000 7.993000 8.165000 31.825000 # CG
367 82 3 0.00000000 9.223000 6.035000 31.825000 # CG
368 82 3 0.00000000 9.223000 7.455000 31.825000 # CG
369 82 3 0.00000000 9.223000 0.355000 35.175000 # CG
370 82 3 0.00000000 9.223000 3.195000 35.175000 # CG
371 82 3 0.00000000 7.993000 1.065000 35.175000 # CG
372 82 3 0.00000000 7.993000 2.485000 35.175000 # CG
373 82 3 0.00000000 6.764000 0.355000 35.175000 # CG
374 82 3 0.00000000 6.764000 3.195000 35.175000 # CG
375 82 3 0.00000000 5.534000 1.065000 35.175000 # CG
376 82 3 0.00000000 5.534000 2.485000 35.175000 # CG
377 82 3 0.00000000 4.304000 0.355000 35.175000 # CG
378 82 3 0.00000000 4.304000 3.195000 35.175000 # CG
379 82 3 0.00000000 3.074000 1.065000 35.175000 # CG
380 82 3 0.00000000 3.074000 2.485000 35.175000 # CG
381 82 3 0.00000000 1.845000 0.355000 35.175000 # CG
382 82 3 0.00000000 1.845000 3.195000 35.175000 # CG
383 82 3 0.00000000 0.615000 1.065000 35.175000 # CG
384 82 3 0.00000000 0.615000 2.485000 35.175000 # CG
385 82 3 0.00000000 9.223000 4.615000 35.175000 # CG
386 82 3 0.00000000 9.223000 7.455000 35.175000 # CG
387 82 3 0.00000000 7.993000 5.325000 35.175000 # CG
388 82 3 0.00000000 7.993000 6.745000 35.175000 # CG
389 82 3 0.00000000 6.764000 4.615000 35.175000 # CG
390 82 3 0.00000000 6.764000 7.455000 35.175000 # CG
391 82 3 0.00000000 5.534000 5.325000 35.175000 # CG
392 82 3 0.00000000 5.534000 6.745000 35.175000 # CG
393 82 3 0.00000000 4.304000 4.615000 35.175000 # CG
394 82 3 0.00000000 4.304000 7.455000 35.175000 # CG
395 82 3 0.00000000 3.074000 5.325000 35.175000 # CG
396 82 3 0.00000000 3.074000 6.745000 35.175000 # CG
397 82 3 0.00000000 1.845000 4.615000 35.175000 # CG
398 82 3 0.00000000 1.845000 7.455000 35.175000 # CG
399 82 3 0.00000000 0.615000 5.325000 35.175000 # CG
400 82 3 0.00000000 0.615000 6.745000 35.175000 # CG
401 82 3 0.00000000 0.615000 1.065000 38.525000 # CG
402 82 3 0.00000000 0.615000 3.905000 38.525000 # CG
403 82 3 0.00000000 1.845000 1.775000 38.525000 # CG
404 82 3 0.00000000 1.845000 3.195000 38.525000 # CG
405 82 3 0.00000000 3.074000 1.065000 38.525000 # CG
406 82 3 0.00000000 3.074000 3.905000 38.525000 # CG
407 82 3 0.00000000 4.304000 1.775000 38.525000 # CG
408 82 3 0.00000000 4.304000 3.195000 38.525000 # CG
409 82 3 0.00000000 5.534000 1.065000 38.525000 # CG
410 82 3 0.00000000 5.534000 3.905000 38.525000 # CG
411 82 3 0.00000000 6.764000 1.775000 38.525000 # CG
412 82 3 0.00000000 6.764000 3.195000 38.525000 # CG
413 82 3 0.00000000 7.993000 1.065000 38.525000 # CG
414 82 3 0.00000000 7.993000 3.905000 38.525000 # CG
415 82 3 0.00000000 9.223000 1.775000 38.525000 # CG
416 82 3 0.00000000 9.223000 3.195000 38.525000 # CG
417 82 3 0.00000000 0.615000 5.325000 38.525000 # CG
418 82 3 0.00000000 0.615000 8.165000 38.525000 # CG
419 82 3 0.00000000 1.845000 6.035000 38.525000 # CG
420 82 3 0.00000000 1.845000 7.455000 38.525000 # CG
421 82 3 0.00000000 3.074000 5.325000 38.525000 # CG
422 82 3 0.00000000 3.074000 8.165000 38.525000 # CG
423 82 3 0.00000000 4.304000 6.035000 38.525000 # CG
424 82 3 0.00000000 4.304000 7.455000 38.525000 # CG
425 82 3 0.00000000 5.534000 5.325000 38.525000 # CG
426 82 3 0.00000000 5.534000 8.165000 38.525000 # CG
427 82 3 0.00000000 6.764000 6.035000 38.525000 # CG
428 82 3 0.00000000 6.764000 7.455000 38.525000 # CG
429 82 3 0.00000000 7.993000 5.325000 38.525000 # CG
430 82 3 0.00000000 7.993000 8.165000 38.525000 # CG
431 82 3 0.00000000 9.223000 6.035000 38.525000 # CG
432 82 3 0.00000000 9.223000 7.455000 38.525000 # CG
Bonds
1 2 1 3
2 1 2 3
3 2 4 6
4 1 5 6
5 2 7 9
6 1 8 9
7 2 10 12
8 1 11 12
9 2 13 15
10 1 14 15
11 2 16 18
12 1 17 18
13 2 19 21
14 1 20 21
15 2 22 24
16 1 23 24
17 2 25 27
18 1 26 27
19 2 28 30
20 1 29 30
21 2 31 33
22 1 32 33
23 2 34 36
24 1 35 36
25 2 37 39
26 1 38 39
27 2 40 42
28 1 41 42
29 2 43 45
30 1 44 45
31 2 46 48
32 1 47 48
33 2 49 51
34 1 50 51
35 2 52 54
36 1 53 54
37 2 55 57
38 1 56 57
39 2 58 60
40 1 59 60
41 2 61 63
42 1 62 63
43 2 64 66
44 1 65 66
45 2 67 69
46 1 68 69
47 2 70 72
48 1 71 72
49 2 73 75
50 1 74 75
51 2 76 78
52 1 77 78
53 2 79 81
54 1 80 81
55 2 82 84
56 1 83 84
57 2 85 87
58 1 86 87
59 2 88 90
60 1 89 90
61 2 91 93
62 1 92 93
63 2 94 96
64 1 95 96
65 2 97 99
66 1 98 99
67 2 100 102
68 1 101 102
69 2 103 105
70 1 104 105
71 2 106 108
72 1 107 108
73 2 109 111
74 1 110 111
75 2 112 114
76 1 113 114
77 2 115 117
78 1 116 117
79 2 118 120
80 1 119 120
81 2 121 123
82 1 122 123
83 2 124 126
84 1 125 126
85 2 127 129
86 1 128 129
87 2 130 132
88 1 131 132
89 2 133 135
90 1 134 135
91 2 136 138
92 1 137 138
93 2 139 141
94 1 140 141
95 2 142 144
96 1 143 144
97 2 145 147
98 1 146 147
99 2 148 150
100 1 149 150
101 2 151 153
102 1 152 153
103 2 154 156
104 1 155 156
105 2 157 159
106 1 158 159
107 2 160 162
108 1 161 162
109 2 163 165
110 1 164 165
111 2 166 168
112 1 167 168
113 2 169 171
114 1 170 171
115 2 172 174
116 1 173 174
117 2 175 177
118 1 176 177
119 2 178 180
120 1 179 180
121 2 181 183
122 1 182 183
123 2 184 186
124 1 185 186
125 2 187 189
126 1 188 189
127 2 190 192
128 1 191 192
129 2 193 195
130 1 194 195
131 2 196 198
132 1 197 198
133 2 199 201
134 1 200 201
135 2 202 204
136 1 203 204
137 2 205 207
138 1 206 207
139 2 208 210
140 1 209 210
141 2 211 213
142 1 212 213
143 2 214 216
144 1 215 216
145 2 217 219
146 1 218 219
147 2 220 222
148 1 221 222
149 2 223 225
150 1 224 225
151 2 226 228
152 1 227 228
153 2 229 231
154 1 230 231
155 2 232 234
156 1 233 234
157 2 235 237
158 1 236 237
159 2 238 240
160 1 239 240
Angles
1 1 1 3 2
2 1 4 6 5
3 1 7 9 8
4 1 10 12 11
5 1 13 15 14
6 1 16 18 17
7 1 19 21 20
8 1 22 24 23
9 1 25 27 26
10 1 28 30 29
11 1 31 33 32
12 1 34 36 35
13 1 37 39 38
14 1 40 42 41
15 1 43 45 44
16 1 46 48 47
17 1 49 51 50
18 1 52 54 53
19 1 55 57 56
20 1 58 60 59
21 1 61 63 62
22 1 64 66 65
23 1 67 69 68
24 1 70 72 71
25 1 73 75 74
26 1 76 78 77
27 1 79 81 80
28 1 82 84 83
29 1 85 87 86
30 1 88 90 89
31 1 91 93 92
32 1 94 96 95
33 1 97 99 98
34 1 100 102 101
35 1 103 105 104
36 1 106 108 107
37 1 109 111 110
38 1 112 114 113
39 1 115 117 116
40 1 118 120 119
41 1 121 123 122
42 1 124 126 125
43 1 127 129 128
44 1 130 132 131
45 1 133 135 134
46 1 136 138 137
47 1 139 141 140
48 1 142 144 143
49 1 145 147 146
50 1 148 150 149
51 1 151 153 152
52 1 154 156 155
53 1 157 159 158
54 1 160 162 161
55 1 163 165 164
56 1 166 168 167
57 1 169 171 170
58 1 172 174 173
59 1 175 177 176
60 1 178 180 179
61 1 181 183 182
62 1 184 186 185
63 1 187 189 188
64 1 190 192 191
65 1 193 195 194
66 1 196 198 197
67 1 199 201 200
68 1 202 204 203
69 1 205 207 206
70 1 208 210 209
71 1 211 213 212
72 1 214 216 215
73 1 217 219 218
74 1 220 222 221
75 1 223 225 224
76 1 226 228 227
77 1 229 231 230
78 1 232 234 233
79 1 235 237 236
80 1 238 240 239