# Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #CYANAFORMAT NhH 6025 122.347 8.142 8.142 3 U 2.776e+04 0.00e+00 m 0 62 63 63 0 6027 122.347 4.335 8.142 2 U 1.097e+04 0.00e+00 m 0 62 52 63 0 6028 122.347 4.189 8.142 2 U 1.367e+03 0.00e+00 m 0 62 54 63 0 6029 122.347 1.134 8.142 2 U 1.624e+03 0.00e+00 m 0 62 55 63 0 6030 122.347 4.097 8.142 2 U 2.526e+03 0.00e+00 m 0 62 65 63 0 6031 122.347 1.992 8.142 2 U 5.945e+03 0.00e+00 m 0 62 67 63 0 6032 122.347 0.843 8.142 2 U 8.612e+03 0.00e+00 m 0 62 68 63 0 6033 122.347 0.838 8.142 2 U 8.612e+03 0.00e+00 m 0 62 69 63 0 6035 124.695 8.473 8.473 3 U 6.750e+02 0.00e+00 m 0 80 81 81 0 6037 124.695 4.097 8.473 2 U 2.634e+03 0.00e+00 m 0 80 65 81 0 6042 124.695 3.103 8.473 2 U 8.650e+02 0.00e+00 m 0 80 85 81 0 6043 124.695 3.042 8.473 2 U 1.221e+03 0.00e+00 m 0 80 86 81 0 6047 118.013 8.069 8.069 3 U 8.157e+03 0.00e+00 m 0 97 98 98 0 6049 118.013 4.683 8.069 2 U 7.555e+03 0.00e+00 m 0 97 83 98 0 6050 118.013 3.103 8.069 2 U 1.117e+03 0.00e+00 m 0 97 85 98 0 6051 118.013 3.042 8.069 2 U 9.720e+02 0.00e+00 m 0 97 86 98 0 6054 118.013 4.594 8.069 2 U 1.863e+03 0.00e+00 m 0 97 100 98 0 6055 118.013 4.080 8.069 2 U 2.201e+03 0.00e+00 m 0 97 102 98 0 6056 118.013 1.084 8.069 2 U 2.984e+03 0.00e+00 m 0 97 103 98 0 6057 118.013 8.506 8.069 2 U 7.290e+02 0.00e+00 m 0 97 111 98 0 6058 118.949 8.506 8.506 3 U 2.317e+04 0.00e+00 m 0 110 111 111 0 6059 118.949 8.069 8.506 2 U 7.850e+02 0.00e+00 m 0 110 98 111 0 6060 118.949 4.594 8.506 2 U 1.203e+04 0.00e+00 m 0 110 100 111 0 6061 118.949 4.080 8.506 2 U 2.510e+03 0.00e+00 m 0 110 102 111 0 6062 118.949 1.084 8.506 2 U 4.351e+03 0.00e+00 m 0 110 103 111 0 6063 118.949 4.469 8.506 2 U 4.533e+03 0.00e+00 m 0 110 113 111 0 6064 118.949 3.647 8.506 2 U 6.106e+03 0.00e+00 m 0 110 115 111 0 6065 118.949 3.649 8.506 2 U 6.106e+03 0.00e+00 m 0 110 116 111 0 6066 118.949 8.174 8.506 2 U 4.289e+03 0.00e+00 m 0 110 121 111 0 6067 119.029 8.174 8.174 3 U 5.457e+04 0.00e+00 m 0 120 121 121 0 6068 119.029 8.506 8.174 2 U 5.037e+03 0.00e+00 m 0 120 111 121 0 6069 119.029 4.469 8.174 2 U 1.411e+04 0.00e+00 m 0 120 113 121 0 6070 119.029 3.647 8.174 2 U 8.226e+03 0.00e+00 m 0 120 115 121 0 6071 119.029 3.649 8.174 2 U 8.226e+03 0.00e+00 m 0 120 116 121 0 6072 119.029 5.320 8.174 2 U 4.612e+03 0.00e+00 m 0 120 123 121 0 6073 119.029 2.820 8.174 2 U 4.101e+03 0.00e+00 m 0 120 125 121 0 6074 119.029 2.659 8.174 2 U 6.283e+03 0.00e+00 m 0 120 126 121 0 6075 119.029 7.045 8.174 2 U 5.118e+03 0.00e+00 m 0 120 128 121 0 6078 119.029 8.968 8.174 2 U 2.161e+03 0.00e+00 m 0 120 144 121 0 6079 120.101 8.968 8.968 3 U 3.359e+04 0.00e+00 m 0 143 144 144 0 6080 120.101 8.174 8.968 2 U 1.208e+03 0.00e+00 m 0 143 121 144 0 6081 120.101 5.320 8.968 2 U 1.361e+04 0.00e+00 m 0 143 123 144 0 6082 120.101 2.820 8.968 2 U 2.988e+03 0.00e+00 m 0 143 125 144 0 6083 120.101 2.659 8.968 2 U 2.622e+03 0.00e+00 m 0 143 126 144 0 6084 120.101 7.045 8.968 2 U 1.988e+03 0.00e+00 m 0 143 128 144 0 6087 120.101 4.570 8.968 2 U 3.438e+03 0.00e+00 m 0 143 146 144 0 6088 120.101 1.631 8.968 2 U 4.459e+03 0.00e+00 m 0 143 148 144 0 6089 120.101 0.851 8.968 2 U 5.085e+03 0.00e+00 m 0 143 149 144 0 6090 120.101 1.048 8.968 2 U 3.221e+03 0.00e+00 m 0 143 155 144 0 6091 120.101 1.422 8.968 2 U 1.758e+03 0.00e+00 m 0 143 156 144 0 6092 120.101 0.766 8.968 2 U 2.434e+03 0.00e+00 m 0 143 158 144 0 6093 120.101 9.159 8.968 2 U 1.908e+03 0.00e+00 m 0 143 165 144 0 6094 127.983 9.159 9.159 3 U 2.813e+04 0.00e+00 m 0 164 165 165 0 6095 127.983 8.968 9.159 2 U 1.568e+03 0.00e+00 m 0 164 144 165 0 6096 127.983 4.570 9.159 2 U 1.595e+04 0.00e+00 m 0 164 146 165 0 6097 127.983 1.631 9.159 2 U 3.261e+03 0.00e+00 m 0 164 148 165 0 6098 127.983 0.851 9.159 2 U 9.123e+03 0.00e+00 m 0 164 149 165 0 6099 127.983 1.048 9.159 2 U 1.914e+03 0.00e+00 m 0 164 155 165 0 6100 127.983 1.422 9.159 2 U 9.940e+02 0.00e+00 m 0 164 156 165 0 6101 127.983 0.766 9.159 2 U 2.368e+03 0.00e+00 m 0 164 158 165 0 6102 127.983 4.685 9.159 2 U 2.819e+03 0.00e+00 m 0 164 167 165 0 6103 127.983 1.181 9.159 2 U 5.037e+03 0.00e+00 m 0 164 169 165 0 6104 127.983 1.864 9.159 2 U 5.238e+03 0.00e+00 m 0 164 170 165 0 6105 127.983 1.528 9.159 2 U 1.204e+03 0.00e+00 m 0 164 173 165 0 6106 127.983 0.846 9.159 2 U 8.805e+03 0.00e+00 m 0 164 174 165 0 6107 127.983 0.627 9.159 2 U 1.860e+03 0.00e+00 m 0 164 175 165 0 6108 127.983 8.853 9.159 2 U 1.109e+03 0.00e+00 m 0 164 187 165 0 6109 126.440 8.853 8.853 3 U 1.491e+04 0.00e+00 m 0 186 187 187 0 6110 126.440 9.159 8.853 2 U 5.870e+02 0.00e+00 m 0 186 165 187 0 6111 126.440 4.685 8.853 2 U 6.516e+03 0.00e+00 m 0 186 167 187 0 6112 126.440 1.181 8.853 2 U 1.940e+03 0.00e+00 m 0 186 169 187 0 6113 126.440 1.864 8.853 2 U 9.080e+02 0.00e+00 m 0 186 170 187 0 6114 126.440 1.528 8.853 2 U 2.646e+03 0.00e+00 m 0 186 173 187 0 6115 126.440 0.846 8.853 2 U 6.017e+03 0.00e+00 m 0 186 174 187 0 6116 126.440 0.627 8.853 2 U 1.229e+03 0.00e+00 m 0 186 175 187 0 6117 126.440 5.154 8.853 2 U 1.809e+03 0.00e+00 m 0 186 189 187 0 6118 126.440 1.308 8.853 2 U 1.832e+03 0.00e+00 m 0 186 191 187 0 6119 126.440 1.600 8.853 2 U 1.612e+03 0.00e+00 m 0 186 192 187 0 6120 126.440 1.149 8.853 2 U 3.100e+03 0.00e+00 m 0 186 195 187 0 6121 126.440 1.149 8.853 2 U 3.100e+03 0.00e+00 m 0 186 196 187 0 6122 126.440 1.478 8.853 2 U 2.546e+03 0.00e+00 m 0 186 199 187 0 6123 126.440 1.478 8.853 2 U 2.546e+03 0.00e+00 m 0 186 200 187 0 6126 126.440 8.543 8.853 2 U 4.800e+02 0.00e+00 m 0 186 212 187 0 6127 119.925 8.543 8.543 3 U 7.862e+03 0.00e+00 m 0 211 212 212 0 6128 119.925 8.853 8.543 2 U 9.610e+02 0.00e+00 m 0 211 187 212 0 6129 119.925 5.154 8.543 2 U 3.584e+03 0.00e+00 m 0 211 189 212 0 6138 119.925 5.364 8.543 2 U 8.910e+02 0.00e+00 m 0 211 214 212 0 6139 119.925 1.123 8.543 2 U 1.688e+03 0.00e+00 m 0 211 216 212 0 6140 119.925 0.502 8.543 2 U 1.263e+03 0.00e+00 m 0 211 217 212 0 6141 119.925 0.948 8.543 2 U 1.095e+03 0.00e+00 m 0 211 218 212 0 6142 119.925 8.893 8.543 2 U 8.290e+02 0.00e+00 m 0 211 230 212 0 6143 126.924 8.893 8.893 3 U 8.703e+03 0.00e+00 m 0 229 230 230 0 6145 126.924 5.364 8.893 2 U 1.789e+03 0.00e+00 m 0 229 214 230 0 6146 126.924 1.123 8.893 2 U 9.130e+02 0.00e+00 m 0 229 216 230 0 6147 126.924 0.502 8.893 2 U 7.030e+02 0.00e+00 m 0 229 217 230 0 6148 126.924 0.948 8.893 2 U 1.925e+03 0.00e+00 m 0 229 218 230 0 6149 126.924 4.961 8.893 2 U 7.510e+02 0.00e+00 m 0 229 232 230 0 6150 126.924 0.957 8.893 2 U 1.925e+03 0.00e+00 m 0 229 234 230 0 6151 126.924 1.225 8.893 2 U 1.077e+03 0.00e+00 m 0 229 235 230 0 6152 126.924 0.841 8.893 2 U 3.024e+03 0.00e+00 m 0 229 238 230 0 6155 126.924 9.173 8.893 2 U 6.100e+02 0.00e+00 m 0 229 252 230 0 6156 129.322 9.173 9.173 3 U 6.668e+03 0.00e+00 m 0 251 252 252 0 6157 129.322 8.893 9.173 2 U 4.360e+02 0.00e+00 m 0 251 230 252 0 6158 129.322 4.961 9.173 2 U 2.787e+03 0.00e+00 m 0 251 232 252 0 6159 129.322 0.957 9.173 2 U 1.121e+03 0.00e+00 m 0 251 234 252 0 6161 129.322 0.841 9.173 2 U 8.620e+02 0.00e+00 m 0 251 238 252 0 6163 129.322 0.441 9.173 2 U 6.930e+02 0.00e+00 m 0 251 240 252 0 6165 129.322 3.134 9.173 2 U 1.104e+03 0.00e+00 m 0 251 256 252 0 6166 129.322 3.779 9.173 2 U 1.399e+03 0.00e+00 m 0 251 257 252 0 6173 124.253 6.922 6.922 3 U 6.363e+03 0.00e+00 m 0 275 276 276 0 6175 124.253 4.710 6.922 2 U 1.900e+03 0.00e+00 m 0 275 254 276 0 6183 124.253 5.054 6.922 2 U 9.280e+02 0.00e+00 m 0 275 278 276 0 6186 124.253 1.383 6.922 2 U 1.012e+03 0.00e+00 m 0 275 284 276 0 6187 124.253 0.836 6.922 2 U 1.423e+03 0.00e+00 m 0 275 285 276 0 6188 124.253 0.843 6.922 2 U 1.423e+03 0.00e+00 m 0 275 286 276 0 6190 118.058 8.401 8.401 3 U 2.310e+04 0.00e+00 m 0 297 298 298 0 6192 118.058 5.054 8.401 2 U 1.222e+03 0.00e+00 m 0 297 278 298 0 6193 118.058 1.860 8.401 2 U 6.640e+02 0.00e+00 m 0 297 280 298 0 6194 118.058 2.363 8.401 2 U 9.280e+02 0.00e+00 m 0 297 281 298 0 6195 118.058 1.383 8.401 2 U 2.570e+03 0.00e+00 m 0 297 284 298 0 6196 118.058 0.836 8.401 2 U 1.249e+03 0.00e+00 m 0 297 285 298 0 6197 118.058 0.843 8.401 2 U 1.249e+03 0.00e+00 m 0 297 286 298 0 6199 118.058 2.745 8.401 2 U 1.303e+03 0.00e+00 m 0 297 302 298 0 6200 118.058 2.742 8.401 2 U 1.303e+03 0.00e+00 m 0 297 303 298 0 6215 113.289 7.632 7.632 3 U 4.171e+04 0.00e+00 m 0 321 322 322 0 6217 113.289 4.496 7.632 2 U 8.270e+02 0.00e+00 m 0 321 311 322 0 6218 113.289 2.262 7.632 2 U 1.241e+03 0.00e+00 m 0 321 313 322 0 6219 113.289 1.978 7.632 2 U 8.010e+02 0.00e+00 m 0 321 314 322 0 6220 113.289 2.425 7.632 2 U 3.454e+03 0.00e+00 m 0 321 317 322 0 6221 113.289 2.394 7.632 2 U 3.474e+03 0.00e+00 m 0 321 318 322 0 6222 113.289 6.936 7.632 2 U 3.513e+04 0.00e+00 m 0 321 323 322 0 6223 113.289 6.936 6.936 3 U 1.129e+05 0.00e+00 m 0 321 323 323 0 6226 113.289 2.262 6.936 2 U 2.930e+02 0.00e+00 m 0 321 313 323 0 6227 113.289 1.978 6.936 2 U 2.540e+02 0.00e+00 m 0 321 314 323 0 6228 113.289 2.425 6.936 2 U 1.860e+03 0.00e+00 m 0 321 317 323 0 6229 113.289 2.394 6.936 2 U 2.113e+03 0.00e+00 m 0 321 318 323 0 6230 113.289 7.632 6.936 2 U 2.922e+04 0.00e+00 m 0 321 322 323 0 6231 113.991 7.311 7.311 3 U 1.083e+04 0.00e+00 m 0 326 327 327 0 6233 113.991 4.496 7.311 2 U 3.189e+03 0.00e+00 m 0 326 311 327 0 6234 113.991 2.262 7.311 2 U 2.594e+03 0.00e+00 m 0 326 313 327 0 6235 113.991 1.978 7.311 2 U 9.920e+02 0.00e+00 m 0 326 314 327 0 6236 113.991 2.425 7.311 2 U 3.959e+03 0.00e+00 m 0 326 317 327 0 6237 113.991 2.394 7.311 2 U 4.533e+03 0.00e+00 m 0 326 318 327 0 6239 113.991 6.936 7.311 2 U 1.590e+02 0.00e+00 m 0 326 323 327 0 6240 113.991 5.109 7.311 2 U 3.382e+03 0.00e+00 m 0 326 329 327 0 6241 113.991 2.210 7.311 2 U 2.434e+03 0.00e+00 m 0 326 331 327 0 6242 113.991 2.447 7.311 2 U 3.124e+03 0.00e+00 m 0 326 332 327 0 6245 113.991 8.677 7.311 2 U 9.680e+02 0.00e+00 m 0 326 341 327 0 6246 113.386 7.635 7.635 3 U 4.171e+04 0.00e+00 m 0 335 336 336 0 6247 113.386 7.311 7.635 2 U 1.940e+02 0.00e+00 m 0 335 327 336 0 6249 113.386 2.210 7.635 2 U 1.295e+03 0.00e+00 m 0 335 331 336 0 6250 113.386 2.447 7.635 2 U 2.332e+03 0.00e+00 m 0 335 332 336 0 6251 113.386 6.533 7.635 2 U 2.827e+03 0.00e+00 m 0 335 337 336 0 6252 113.386 6.533 6.533 3 U 3.675e+03 0.00e+00 m 0 335 337 337 0 6255 113.386 2.210 6.533 2 U 3.940e+02 0.00e+00 m 0 335 331 337 0 6256 113.386 2.447 6.533 2 U 2.450e+02 0.00e+00 m 0 335 332 337 0 6257 113.386 7.635 6.533 2 U 3.124e+03 0.00e+00 m 0 335 336 337 0 6258 116.092 8.677 8.677 3 U 6.307e+03 0.00e+00 m 0 340 341 341 0 6260 116.092 5.109 8.677 2 U 2.598e+03 0.00e+00 m 0 340 329 341 0 6261 116.092 2.210 8.677 2 U 1.109e+03 0.00e+00 m 0 340 331 341 0 6262 116.092 2.447 8.677 2 U 1.327e+03 0.00e+00 m 0 340 332 341 0 6265 116.092 4.446 8.677 2 U 8.650e+02 0.00e+00 m 0 340 343 341 0 6267 116.092 0.308 8.677 2 U 2.630e+03 0.00e+00 m 0 340 346 341 0 6268 116.092 0.696 8.677 2 U 6.600e+02 0.00e+00 m 0 340 347 341 0 6269 116.092 8.457 8.677 2 U 6.550e+02 0.00e+00 m 0 340 359 341 0 6270 129.294 8.457 8.457 3 U 5.833e+03 0.00e+00 m 0 358 359 359 0 6272 129.294 4.446 8.457 2 U 2.799e+03 0.00e+00 m 0 358 343 359 0 6275 129.294 0.696 8.457 2 U 1.586e+03 0.00e+00 m 0 358 347 359 0 6276 129.294 5.605 8.457 2 U 1.780e+02 0.00e+00 m 0 358 361 359 0 6277 129.294 0.126 8.457 2 U 1.703e+03 0.00e+00 m 0 358 362 359 0 6278 129.294 8.804 8.457 2 U 8.390e+02 0.00e+00 m 0 358 369 359 0 6279 113.807 8.804 8.804 3 U 7.805e+03 0.00e+00 m 0 368 369 369 0 6281 113.807 5.605 8.804 2 U 3.794e+03 0.00e+00 m 0 368 361 369 0 6282 113.807 0.126 8.804 2 U 2.490e+03 0.00e+00 m 0 368 362 369 0 6283 113.807 5.503 8.804 2 U 1.335e+03 0.00e+00 m 0 368 371 369 0 6284 113.807 1.774 8.804 2 U 1.249e+03 0.00e+00 m 0 368 373 369 0 6285 113.807 0.803 8.804 2 U 2.053e+03 0.00e+00 m 0 368 374 369 0 6286 113.807 1.720 8.804 2 U 1.684e+03 0.00e+00 m 0 368 380 369 0 6287 113.807 1.229 8.804 2 U 2.451e+03 0.00e+00 m 0 368 381 369 0 6288 113.807 0.754 8.804 2 U 1.588e+03 0.00e+00 m 0 368 383 369 0 6290 123.887 8.920 8.920 3 U 1.977e+04 0.00e+00 m 0 389 390 390 0 6291 123.887 8.804 8.920 2 U 1.737e+03 0.00e+00 m 0 389 369 390 0 6292 123.887 5.503 8.920 2 U 7.782e+03 0.00e+00 m 0 389 371 390 0 6293 123.887 1.774 8.920 2 U 2.731e+03 0.00e+00 m 0 389 373 390 0 6294 123.887 0.803 8.920 2 U 4.754e+03 0.00e+00 m 0 389 374 390 0 6295 123.887 1.720 8.920 2 U 9.500e+02 0.00e+00 m 0 389 380 390 0 6297 123.887 0.754 8.920 2 U 1.158e+03 0.00e+00 m 0 389 383 390 0 6298 123.887 4.253 8.920 2 U 1.792e+03 0.00e+00 m 0 389 392 390 0 6299 123.887 0.198 8.920 2 U 2.522e+03 0.00e+00 m 0 389 393 390 0 6301 115.929 7.449 7.449 3 U 1.359e+04 0.00e+00 m 0 399 400 400 0 6302 115.929 8.920 7.449 2 U 5.530e+02 0.00e+00 m 0 399 390 400 0 6303 115.929 4.253 7.449 2 U 5.085e+03 0.00e+00 m 0 399 392 400 0 6304 115.929 0.198 7.449 2 U 3.953e+03 0.00e+00 m 0 399 393 400 0 6305 115.929 5.109 7.449 2 U 1.976e+03 0.00e+00 m 0 399 402 400 0 6306 115.929 1.707 7.449 2 U 3.709e+03 0.00e+00 m 0 399 404 400 0 6307 115.929 0.847 7.449 2 U 4.828e+03 0.00e+00 m 0 399 405 400 0 6308 115.929 0.975 7.449 2 U 3.446e+03 0.00e+00 m 0 399 406 400 0 6309 115.929 9.000 7.449 2 U 5.590e+02 0.00e+00 m 0 399 418 400 0 6310 126.865 9.000 9.000 3 U 2.160e+04 0.00e+00 m 0 417 418 418 0 6312 126.865 5.109 9.000 2 U 9.555e+03 0.00e+00 m 0 417 402 418 0 6313 126.865 1.707 9.000 2 U 1.053e+03 0.00e+00 m 0 417 404 418 0 6314 126.865 0.847 9.000 2 U 4.777e+03 0.00e+00 m 0 417 405 418 0 6315 126.865 0.975 9.000 2 U 7.396e+03 0.00e+00 m 0 417 406 418 0 6316 126.865 5.313 9.000 2 U 2.687e+03 0.00e+00 m 0 417 420 418 0 6317 126.865 2.321 9.000 2 U 3.698e+03 0.00e+00 m 0 417 422 418 0 6318 126.865 2.326 9.000 2 U 3.478e+03 0.00e+00 m 0 417 423 418 0 6319 126.865 9.176 9.000 2 U 1.257e+03 0.00e+00 m 0 417 429 418 0 6320 119.236 9.176 9.176 3 U 2.940e+04 0.00e+00 m 0 428 429 429 0 6321 119.236 9.000 9.176 2 U 4.806e+03 0.00e+00 m 0 428 418 429 0 6322 119.236 5.313 9.176 2 U 1.014e+04 0.00e+00 m 0 428 420 429 0 6323 119.236 2.321 9.176 2 U 5.415e+03 0.00e+00 m 0 428 422 429 0 6324 119.236 2.326 9.176 2 U 5.294e+03 0.00e+00 m 0 428 423 429 0 6325 119.236 5.028 9.176 2 U 4.630e+03 0.00e+00 m 0 428 431 429 0 6326 119.236 1.973 9.176 2 U 6.283e+03 0.00e+00 m 0 428 433 429 0 6327 119.236 1.976 9.176 2 U 6.283e+03 0.00e+00 m 0 428 434 429 0 6328 119.236 2.072 9.176 2 U 2.518e+03 0.00e+00 m 0 428 437 429 0 6329 119.236 2.184 9.176 2 U 2.815e+03 0.00e+00 m 0 428 438 429 0 6332 119.236 8.518 9.176 2 U 1.107e+03 0.00e+00 m 0 428 447 429 0 6333 109.313 7.174 7.174 3 U 7.957e+04 0.00e+00 m 0 441 442 442 0 6336 109.313 1.973 7.174 2 U 2.650e+03 0.00e+00 m 0 441 433 442 0 6337 109.313 1.976 7.174 2 U 2.650e+03 0.00e+00 m 0 441 434 442 0 6338 109.313 2.072 7.174 2 U 5.407e+03 0.00e+00 m 0 441 437 442 0 6339 109.313 2.184 7.174 2 U 5.768e+03 0.00e+00 m 0 441 438 442 0 6340 109.313 6.693 7.174 2 U 6.672e+04 0.00e+00 m 0 441 443 442 0 6341 109.313 6.693 6.693 3 U 8.587e+04 0.00e+00 m 0 441 443 443 0 6344 109.313 1.973 6.693 2 U 1.817e+03 0.00e+00 m 0 441 433 443 0 6345 109.313 1.976 6.693 2 U 1.817e+03 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0 446 459 447 0 6363 126.464 0.682 8.518 2 U 3.522e+03 0.00e+00 m 0 446 461 447 0 6364 126.464 8.195 8.518 2 U 1.688e+03 0.00e+00 m 0 446 468 447 0 6365 128.125 8.195 8.195 3 U 6.363e+04 0.00e+00 m 0 467 468 468 0 6366 128.125 8.518 8.195 2 U 1.976e+03 0.00e+00 m 0 467 447 468 0 6367 128.125 4.252 8.195 2 U 2.796e+04 0.00e+00 m 0 467 449 468 0 6368 128.125 1.620 8.195 2 U 2.610e+03 0.00e+00 m 0 467 451 468 0 6369 128.125 0.782 8.195 2 U 1.507e+04 0.00e+00 m 0 467 452 468 0 6370 128.125 1.270 8.195 2 U 1.863e+03 0.00e+00 m 0 467 458 468 0 6371 128.125 0.954 8.195 2 U 2.150e+03 0.00e+00 m 0 467 459 468 0 6372 128.125 0.682 8.195 2 U 4.499e+03 0.00e+00 m 0 467 461 468 0 6373 128.125 4.235 8.195 2 U 1.913e+04 0.00e+00 m 0 467 470 468 0 6374 128.125 1.815 8.195 2 U 7.964e+03 0.00e+00 m 0 467 472 468 0 6375 128.125 0.725 8.195 2 U 1.390e+04 0.00e+00 m 0 467 473 468 0 6376 128.125 0.752 8.195 2 U 1.670e+04 0.00e+00 m 0 467 474 468 0 6378 117.102 8.937 8.937 3 U 2.530e+02 0.00e+00 m 0 485 486 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9.080e+02 0.00e+00 m 0 608 611 609 0 6473 115.304 2.034 7.712 2 U 1.219e+03 0.00e+00 m 0 608 613 609 0 6474 115.304 2.508 7.712 2 U 1.624e+03 0.00e+00 m 0 608 614 609 0 6475 115.304 6.601 7.712 2 U 1.062e+03 0.00e+00 m 0 608 616 609 0 6478 121.993 9.070 9.070 3 U 1.920e+04 0.00e+00 m 0 631 632 632 0 6479 121.993 7.712 9.070 2 U 5.430e+02 0.00e+00 m 0 631 609 632 0 6480 121.993 4.524 9.070 2 U 9.978e+03 0.00e+00 m 0 631 611 632 0 6481 121.993 2.034 9.070 2 U 1.188e+03 0.00e+00 m 0 631 613 632 0 6482 121.993 2.508 9.070 2 U 9.430e+02 0.00e+00 m 0 631 614 632 0 6483 121.993 6.601 9.070 2 U 1.285e+03 0.00e+00 m 0 631 616 632 0 6485 121.993 5.029 9.070 2 U 1.999e+03 0.00e+00 m 0 631 634 632 0 6486 121.993 2.662 9.070 2 U 2.133e+03 0.00e+00 m 0 631 636 632 0 6487 121.993 3.395 9.070 2 U 1.341e+03 0.00e+00 m 0 631 637 632 0 6488 121.993 7.127 9.070 2 U 3.390e+03 0.00e+00 m 0 631 639 632 0 6491 121.993 9.306 9.070 2 U 8.260e+02 0.00e+00 m 0 631 655 632 0 6492 123.265 9.306 9.306 3 U 1.563e+04 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1449 0 7503 116.393 7.272 7.561 2 U 7.320e+02 0.00e+00 m 0 1448 1463 1449 0 7504 116.393 8.092 7.561 2 U 6.644e+03 0.00e+00 m 0 1448 1467 1449 0 7505 112.583 6.761 6.761 3 U 1.442e+05 0.00e+00 m 0 1461 1462 1462 0 7506 112.583 7.561 6.761 2 U 3.590e+03 0.00e+00 m 0 1461 1449 1462 0 7508 112.583 2.265 6.761 2 U 3.466e+03 0.00e+00 m 0 1461 1453 1462 0 7509 112.583 1.833 6.761 2 U 1.041e+03 0.00e+00 m 0 1461 1454 1462 0 7510 112.583 2.285 6.761 2 U 4.590e+03 0.00e+00 m 0 1461 1457 1462 0 7511 112.583 2.504 6.761 2 U 5.600e+03 0.00e+00 m 0 1461 1458 1462 0 7512 112.583 7.272 6.761 2 U 6.863e+04 0.00e+00 m 0 1461 1463 1462 0 7513 112.583 7.272 7.272 3 U 5.699e+04 0.00e+00 m 0 1461 1463 1463 0 7515 112.583 4.307 7.272 2 U 7.890e+02 0.00e+00 m 0 1461 1451 1463 0 7516 112.583 2.265 7.272 2 U 3.104e+03 0.00e+00 m 0 1461 1453 1463 0 7517 112.583 1.833 7.272 2 U 9.310e+02 0.00e+00 m 0 1461 1454 1463 0 7518 112.583 2.285 7.272 2 U 4.607e+03 0.00e+00 m 0 1461 1457 1463 0 7519 112.583 2.504 7.272 2 U 5.809e+03 0.00e+00 m 0 1461 1458 1463 0 7520 112.583 6.761 7.272 2 U 5.315e+04 0.00e+00 m 0 1461 1462 1463 0 7521 117.367 8.092 8.092 3 U 3.168e+04 0.00e+00 m 0 1466 1467 1467 0 7522 117.367 7.561 8.092 2 U 6.700e+03 0.00e+00 m 0 1466 1449 1467 0 7523 117.367 4.307 8.092 2 U 1.285e+04 0.00e+00 m 0 1466 1451 1467 0 7524 117.367 2.265 8.092 2 U 1.283e+03 0.00e+00 m 0 1466 1453 1467 0 7525 117.367 1.833 8.092 2 U 1.277e+03 0.00e+00 m 0 1466 1454 1467 0 7526 117.367 2.285 8.092 2 U 1.353e+03 0.00e+00 m 0 1466 1457 1467 0 7527 117.367 2.504 8.092 2 U 6.670e+02 0.00e+00 m 0 1466 1458 1467 0 7530 117.367 4.280 8.092 2 U 1.729e+04 0.00e+00 m 0 1466 1469 1467 0 7531 117.367 2.691 8.092 2 U 4.311e+03 0.00e+00 m 0 1466 1471 1467 0 7532 117.367 3.108 8.092 2 U 3.209e+03 0.00e+00 m 0 1466 1472 1467 0 7535 117.367 8.045 8.092 2 U 1.820e+04 0.00e+00 m 0 1466 1481 1467 0 7536 112.574 6.821 6.821 3 U 1.367e+05 0.00e+00 m 0 1475 1476 1476 0 7537 112.574 8.092 6.821 2 U 7.720e+02 0.00e+00 m 0 1475 1467 1476 0 7538 112.574 4.280 6.821 2 U 1.083e+03 0.00e+00 m 0 1475 1469 1476 0 7539 112.574 2.691 6.821 2 U 3.925e+03 0.00e+00 m 0 1475 1471 1476 0 7540 112.574 3.108 6.821 2 U 4.044e+03 0.00e+00 m 0 1475 1472 1476 0 7541 112.574 7.550 6.821 2 U 6.454e+04 0.00e+00 m 0 1475 1477 1476 0 7542 112.574 7.550 7.550 3 U 7.872e+04 0.00e+00 m 0 1475 1477 1477 0 7543 112.574 8.092 7.550 2 U 9.510e+02 0.00e+00 m 0 1475 1467 1477 0 7544 112.574 4.280 7.550 2 U 1.357e+03 0.00e+00 m 0 1475 1469 1477 0 7545 112.574 2.691 7.550 2 U 5.809e+03 0.00e+00 m 0 1475 1471 1477 0 7546 112.574 3.108 7.550 2 U 5.841e+03 0.00e+00 m 0 1475 1472 1477 0 7547 112.574 6.821 7.550 2 U 7.044e+04 0.00e+00 m 0 1475 1476 1477 0 7548 118.590 8.045 8.045 3 U 3.090e+04 0.00e+00 m 0 1480 1481 1481 0 7549 118.590 8.092 8.045 2 U 2.018e+04 0.00e+00 m 0 1480 1467 1481 0 7550 118.590 4.280 8.045 2 U 5.584e+03 0.00e+00 m 0 1480 1469 1481 0 7551 118.590 2.691 8.045 2 U 9.710e+02 0.00e+00 m 0 1480 1471 1481 0 7552 118.590 3.108 8.045 2 U 1.134e+03 0.00e+00 m 0 1480 1472 1481 0 7555 118.590 4.498 8.045 2 U 1.829e+03 0.00e+00 m 0 1480 1483 1481 0 7556 118.590 1.391 8.045 2 U 3.664e+03 0.00e+00 m 0 1480 1485 1481 0 7557 118.590 1.689 8.045 2 U 2.594e+03 0.00e+00 m 0 1480 1486 1481 0 7558 118.590 1.197 8.045 2 U 1.668e+03 0.00e+00 m 0 1480 1489 1481 0 7559 118.590 1.321 8.045 2 U 2.691e+03 0.00e+00 m 0 1480 1490 1481 0 7560 118.590 1.521 8.045 2 U 9.500e+02 0.00e+00 m 0 1480 1493 1481 0 7561 118.590 1.521 8.045 2 U 9.500e+02 0.00e+00 m 0 1480 1494 1481 0 7564 118.590 8.324 8.045 2 U 6.460e+02 0.00e+00 m 0 1480 1506 1481 0 7565 121.012 8.324 8.324 3 U 1.922e+04 0.00e+00 m 0 1505 1506 1506 0 7566 121.012 8.045 8.324 2 U 9.680e+02 0.00e+00 m 0 1505 1481 1506 0 7567 121.012 4.498 8.324 2 U 7.123e+03 0.00e+00 m 0 1505 1483 1506 0 7568 121.012 1.391 8.324 2 U 1.093e+03 0.00e+00 m 0 1505 1485 1506 0 7569 121.012 1.689 8.324 2 U 1.812e+03 0.00e+00 m 0 1505 1486 1506 0 7570 121.012 1.197 8.324 2 U 9.990e+02 0.00e+00 m 0 1505 1489 1506 0 7571 121.012 1.321 8.324 2 U 9.570e+02 0.00e+00 m 0 1505 1490 1506 0 7572 121.012 1.521 8.324 2 U 1.578e+03 0.00e+00 m 0 1505 1493 1506 0 7573 121.012 1.521 8.324 2 U 1.578e+03 0.00e+00 m 0 1505 1494 1506 0 7576 121.012 4.503 8.324 2 U 7.123e+03 0.00e+00 m 0 1505 1508 1506 0 7577 121.012 1.860 8.324 2 U 3.394e+03 0.00e+00 m 0 1505 1510 1506 0 7578 121.012 1.952 8.324 2 U 2.855e+03 0.00e+00 m 0 1505 1511 1506 0 7579 121.012 2.246 8.324 2 U 2.190e+03 0.00e+00 m 0 1505 1514 1506 0 7580 121.012 2.236 8.324 2 U 2.309e+03 0.00e+00 m 0 1505 1515 1506 0 7583 121.012 8.788 8.324 2 U 5.700e+02 0.00e+00 m 0 1505 1524 1506 0 7584 112.165 6.737 6.737 3 U 5.690e+04 0.00e+00 m 0 1518 1519 1519 0 7586 112.165 4.503 6.737 2 U 6.000e+02 0.00e+00 m 0 1518 1508 1519 0 7589 112.165 2.246 6.737 2 U 1.443e+03 0.00e+00 m 0 1518 1514 1519 0 7590 112.165 2.236 6.737 2 U 1.880e+03 0.00e+00 m 0 1518 1515 1519 0 7591 112.165 7.432 6.737 2 U 2.478e+04 0.00e+00 m 0 1518 1520 1519 0 7592 112.165 7.432 7.432 3 U 4.062e+04 0.00e+00 m 0 1518 1520 1520 0 7597 112.165 2.246 7.432 2 U 2.209e+03 0.00e+00 m 0 1518 1514 1520 0 7598 112.165 2.236 7.432 2 U 3.269e+03 0.00e+00 m 0 1518 1515 1520 0 7599 112.165 6.737 7.432 2 U 2.368e+04 0.00e+00 m 0 1518 1519 1520 0 7600 119.006 8.788 8.788 3 U 4.448e+03 0.00e+00 m 0 1523 1524 1524 0 7602 119.006 4.503 8.788 2 U 1.608e+03 0.00e+00 m 0 1523 1508 1524 0 7604 119.006 1.952 8.788 2 U 1.345e+03 0.00e+00 m 0 1523 1511 1524 0 7609 119.006 4.681 8.788 2 U 1.104e+03 0.00e+00 m 0 1523 1526 1524 0 7610 119.006 1.985 8.788 2 U 1.566e+03 0.00e+00 m 0 1523 1528 1524 0 7611 119.006 0.781 8.788 2 U 7.460e+02 0.00e+00 m 0 1523 1529 1524 0 7612 119.006 2.135 8.788 2 U 6.640e+02 0.00e+00 m 0 1523 1535 1524 0 7613 119.006 1.952 8.788 2 U 1.345e+03 0.00e+00 m 0 1523 1536 1524 0 7880 115.862 7.257 7.257 3 U 1.015e+04 0.00e+00 m 0 1657 1658 1658 0 7881 115.862 7.107 7.257 2 U 1.891e+03 0.00e+00 m 0 1657 1633 1658 0 7882 115.862 3.812 7.257 2 U 1.055e+03 0.00e+00 m 0 1657 1635 1658 0 7883 115.862 1.147 7.257 2 U 9.950e+02 0.00e+00 m 0 1657 1637 1658 0 7884 115.862 1.310 7.257 2 U 8.940e+02 0.00e+00 m 0 1657 1638 1658 0 7891 115.862 5.108 7.257 2 U 1.004e+03 0.00e+00 m 0 1657 1660 1658 0 7893 115.862 3.119 7.257 2 U 3.880e+02 0.00e+00 m 0 1657 1663 1658 0 8034 118.949 0.779 8.506 1 U 1.468e+03 0.00e+00 m 0 110 0 111 0 8035 118.949 1.624 8.506 1 U 1.920e+03 0.00e+00 m 0 110 0 111 0 8042 119.029 1.086 8.174 1 U 3.584e+03 0.00e+00 m 0 120 0 121 0 8043 119.029 0.670 8.174 1 U 1.693e+03 0.00e+00 m 0 120 0 121 0 8065 120.101 5.035 8.968 1 U 2.703e+03 0.00e+00 m 0 143 0 144 0 8067 127.983 4.274 9.159 1 U 7.350e+02 0.00e+00 m 0 164 0 165 0 8114 113.991 6.828 7.311 1 U 3.993e+03 0.00e+00 m 0 326 0 327 0 8115 113.991 1.872 7.311 1 U 1.852e+03 0.00e+00 m 0 326 0 327 0 8116 113.991 0.851 7.311 1 U 2.454e+03 0.00e+00 m 0 326 0 327 0 8168 109.313 1.109 7.174 1 U 1.832e+03 0.00e+00 m 0 441 0 442 0 8169 109.313 0.737 7.174 1 U 3.438e+03 0.00e+00 m 0 441 0 442 0 8176 126.464 5.310 8.518 1 U 3.919e+03 0.00e+00 m 0 446 0 447 0 8181 128.125 5.259 8.195 1 U 8.112e+03 0.00e+00 m 0 467 0 468 0 8208 109.201 3.953 8.003 1 U 1.289e+03 0.00e+00 m 0 517 0 518 0 8209 109.201 3.643 8.003 1 U 9.990e+02 0.00e+00 m 0 517 0 518 0 8210 109.201 0.747 8.003 1 U 3.305e+03 0.00e+00 m 0 517 0 518 0 8212 113.067 0.742 8.240 1 U 1.504e+03 0.00e+00 m 0 524 0 525 0 8215 117.643 0.730 9.012 1 U 4.152e+03 0.00e+00 m 0 537 0 538 0 8216 117.643 2.338 9.012 1 U 2.221e+03 0.00e+00 m 0 537 0 538 0 8220 117.643 4.269 9.012 1 U 2.048e+03 0.00e+00 m 0 537 0 538 0 8228 117.643 9.193 9.012 1 U 3.233e+03 0.00e+00 m 0 537 0 538 0 8256 106.159 2.196 7.818 1 U 5.650e+02 0.00e+00 m 0 585 0 586 0 8267 106.159 7.455 7.818 1 U 1.888e+03 0.00e+00 m 0 585 0 586 0 8268 106.159 5.042 7.818 1 U 2.153e+03 0.00e+00 m 0 585 0 586 0 8269 114.780 7.079 8.276 1 U 1.043e+03 0.00e+00 m 0 598 0 599 0 8279 121.993 0.200 9.070 1 U 2.642e+03 0.00e+00 m 0 631 0 632 0 8280 121.993 0.133 9.070 1 U 2.136e+03 0.00e+00 m 0 631 0 632 0 8281 121.993 1.244 9.070 1 U 6.790e+02 0.00e+00 m 0 631 0 632 0 8285 123.265 0.136 9.306 1 U 7.020e+02 0.00e+00 m 0 654 0 655 0 8294 120.282 5.618 8.734 1 U 1.985e+03 0.00e+00 m 0 743 0 744 0 8318 115.429 1.251 6.748 1 U 3.561e+03 0.00e+00 m 0 811 0 812 0 8319 115.429 1.255 7.832 1 U 2.263e+03 0.00e+00 m 0 811 0 813 0 8320 116.435 7.566 8.048 1 U 2.968e+03 0.00e+00 m 0 816 0 817 0 8327 121.124 -0.136 8.090 1 U 3.618e+03 0.00e+00 m 0 856 0 857 0 8410 117.445 1.587 8.848 1 U 8.430e+03 0.00e+00 m 0 1066 0 1067 0 8411 117.445 1.809 8.848 1 U 1.500e+03 0.00e+00 m 0 1066 0 1067 0 8412 115.499 1.577 6.881 1 U 1.308e+04 0.00e+00 m 0 1076 0 1077 0 8413 115.499 0.325 6.881 1 U 2.916e+03 0.00e+00 m 0 1076 0 1077 0 8418 120.218 0.326 7.831 1 U 4.135e+03 0.00e+00 m 0 1087 0 1088 0 8446 114.057 1.094 7.054 1 U 1.191e+03 0.00e+00 m 0 1143 0 1144 0 8447 114.057 0.881 7.054 1 U 1.279e+03 0.00e+00 m 0 1143 0 1144 0 8448 114.057 0.903 7.994 1 U 9.130e+02 0.00e+00 m 0 1143 0 1145 0 8472 111.209 0.903 6.804 1 U 5.809e+03 0.00e+00 m 0 1197 0 1198 0 8473 111.169 0.972 6.745 1 U 7.158e+03 0.00e+00 m 0 1306 0 1308 0 8475 111.209 0.895 7.789 1 U 3.817e+03 0.00e+00 m 0 1197 0 1199 0 8487 120.970 0.841 8.381 1 U 3.458e+03 0.00e+00 m 0 1220 0 1221 0 8488 120.970 0.617 8.381 1 U 4.289e+03 0.00e+00 m 0 1220 0 1221 0 8515 111.169 0.976 7.565 1 U 6.026e+03 0.00e+00 m 0 1306 0 1307 0 8525 115.513 0.863 8.854 1 U 3.357e+03 0.00e+00 m 0 1696 0 1697 0 8562 121.993 8.802 9.070 1 U 3.084e+03 0.00e+00 m 0 631 0 632 0 8597 127.229 4.387 8.622 1 U 3.008e+03 0.00e+00 m 0 1747 1732 1748 0 8598 127.229 8.622 8.622 1 U 4.135e+03 0.00e+00 m 0 1747 1748 1748 0 8599 127.229 2.941 8.622 1 U 1.576e+03 0.00e+00 m 0 1747 0 1748 0 8600 115.445 2.783 8.414 1 U 1.448e+03 0.00e+00 m 0 774 779 775 0 8601 115.445 3.391 8.414 1 U 1.490e+03 0.00e+00 m 0 774 780 775 0 8606 115.445 8.414 8.414 1 U 5.158e+03 0.00e+00 m 0 774 775 775 0 8607 118.109 7.571 7.571 1 U 6.668e+03 0.00e+00 m 0 798 799 799 0 8608 118.109 3.455 7.571 1 U 1.478e+03 0.00e+00 m 0 798 801 799 0 8610 118.829 9.460 9.453 1 U 2.229e+03 0.00e+00 m 0 1358 1359 1359 0 8614 127.203 6.809 9.201 1 U 2.275e+03 0.00e+00 m 0 1347 1355 1352 0 8617 130.215 9.744 9.744 1 U 8.271e+03 0.00e+00 m 0 264 269 269 0 8618 130.215 7.155 9.744 1 U 2.932e+03 0.00e+00 m 0 264 265 269 0 8619 130.215 7.466 9.744 1 U 7.250e+02 0.00e+00 m 0 264 272 269 0 8637 130.479 9.505 9.505 1 U 5.084e+04 0.00e+00 m 0 787 792 792 0 8638 130.479 7.320 9.505 1 U 7.203e+03 0.00e+00 m 0 787 795 792 0 8639 130.479 6.702 9.505 1 U 1.118e+04 0.00e+00 m 0 787 788 792 0 8642 130.595 10.437 10.437 1 U 6.717e+04 0.00e+00 m 0 1009 1014 1014 0 8643 130.595 7.460 10.437 1 U 8.305e+03 0.00e+00 m 0 1009 1017 1014 0 8644 130.595 7.194 10.437 1 U 1.586e+04 0.00e+00 m 0 1009 1010 1014 0 # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #CYANAFORMAT NhH 8657 115.553 9.517 8.474 1 U 1.371e+03 0.00e+00 m 0 1230 0 1231 0 8671 122.347 4.724 8.142 1 U 1.195e+03 0.00e+00 m 0 62 0 63 0 8699 118.949 7.000 8.506 1 U 1.425e+03 0.00e+00 m 0 110 0 111 0 8707 119.029 0.972 8.174 1 U 1.809e+03 0.00e+00 m 0 120 0 121 0 8708 119.029 0.882 8.174 1 U 1.662e+03 0.00e+00 m 0 120 0 121 0 8709 119.029 0.780 8.174 1 U 1.536e+03 0.00e+00 m 0 120 0 121 0 8710 119.029 1.619 8.174 1 U 9.700e+02 0.00e+00 m 0 120 0 121 0 8725 119.029 4.599 8.174 1 U 1.574e+03 0.00e+00 m 0 120 0 121 0 8726 119.029 7.243 8.174 1 U 1.281e+03 0.00e+00 m 0 120 0 121 0 8734 120.101 8.516 8.968 1 U 1.339e+03 0.00e+00 m 0 143 0 144 0 8748 120.101 2.333 8.968 1 U 6.850e+02 0.00e+00 m 0 143 0 144 0 8756 120.101 0.983 8.968 1 U 5.222e+03 0.00e+00 m 0 143 0 144 0 8792 126.440 0.498 8.853 1 U 9.940e+02 0.00e+00 m 0 186 0 187 0 8793 126.440 0.193 8.853 1 U 1.163e+03 0.00e+00 m 0 186 0 187 0 8805 126.440 0.960 8.853 1 U 9.400e+02 0.00e+00 m 0 186 0 187 0 8808 119.925 0.202 8.543 1 U 5.670e+02 0.00e+00 m 0 211 0 212 0 8810 119.925 0.880 8.543 1 U 1.147e+03 0.00e+00 m 0 211 0 212 0 8811 119.925 1.889 8.543 1 U 6.600e+02 0.00e+00 m 0 211 0 212 0 8820 126.924 8.428 8.893 1 U 9.820e+02 0.00e+00 m 0 229 0 230 0 8828 126.924 5.133 8.893 1 U 1.146e+03 0.00e+00 m 0 229 0 230 0 8829 126.924 5.493 8.893 1 U 7.820e+02 0.00e+00 m 0 229 0 230 0 8841 124.253 4.461 6.922 1 U 8.320e+02 0.00e+00 m 0 275 0 276 0 8861 113.991 9.203 7.311 1 U 8.230e+02 0.00e+00 m 0 326 0 327 0 8862 113.991 2.750 7.311 1 U 7.390e+02 0.00e+00 m 0 326 0 327 0 8864 113.386 0.841 7.635 1 U 4.890e+02 0.00e+00 m 0 335 0 336 0 8877 116.092 9.289 8.677 1 U 6.430e+02 0.00e+00 m 0 340 0 341 0 8895 113.807 9.078 8.804 1 U 1.586e+03 0.00e+00 m 0 368 0 369 0 8923 113.807 4.614 8.804 1 U 9.980e+02 0.00e+00 m 0 368 0 369 0 8924 113.807 4.545 8.804 1 U 6.380e+02 0.00e+00 m 0 368 0 369 0 8937 123.887 0.514 8.920 1 U 1.235e+03 0.00e+00 m 0 389 0 390 0 8938 123.887 0.838 8.920 1 U 5.150e+03 0.00e+00 m 0 389 0 390 0 8940 123.887 1.164 8.920 1 U 5.090e+02 0.00e+00 m 0 389 0 390 0 8941 123.887 1.603 8.920 1 U 5.960e+02 0.00e+00 m 0 389 0 390 0 8959 115.929 5.395 7.449 1 U 1.441e+03 0.00e+00 m 0 399 0 400 0 8963 123.887 6.354 8.920 1 U 5.950e+02 0.00e+00 m 0 389 0 390 0 8965 123.887 5.118 8.920 1 U 2.270e+02 0.00e+00 m 0 389 0 390 0 8971 115.929 7.841 7.449 1 U 1.136e+03 0.00e+00 m 0 399 0 400 0 8976 126.865 8.868 9.000 1 U 1.652e+03 0.00e+00 m 0 417 0 418 0 8980 119.236 3.948 9.176 1 U 1.015e+03 0.00e+00 m 0 428 0 429 0 8981 119.236 3.710 9.176 1 U 6.610e+02 0.00e+00 m 0 428 0 429 0 8982 126.865 1.159 9.000 1 U 1.287e+03 0.00e+00 m 0 417 0 418 0 8983 126.865 1.442 9.000 1 U 1.224e+03 0.00e+00 m 0 417 0 418 0 8984 126.865 1.637 9.000 1 U 1.225e+03 0.00e+00 m 0 417 0 418 0 8996 119.236 1.748 9.176 1 U 8.070e+02 0.00e+00 m 0 428 0 429 0 8997 119.236 1.469 9.176 1 U 1.136e+03 0.00e+00 m 0 428 0 429 0 8998 119.236 1.147 9.176 1 U 9.270e+02 0.00e+00 m 0 428 0 429 0 8999 119.236 1.013 9.176 1 U 1.618e+03 0.00e+00 m 0 428 0 429 0 9000 119.236 0.776 9.176 1 U 1.062e+03 0.00e+00 m 0 428 0 429 0 9020 126.464 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5.680e+02 0.00e+00 m 0 677 0 678 0 9255 125.956 5.621 7.595 1 U 1.435e+03 0.00e+00 m 0 717 0 718 0 9260 120.282 9.319 8.734 1 U 7.000e+02 0.00e+00 m 0 743 0 744 0 9263 125.605 8.164 7.857 1 U 2.232e+03 0.00e+00 m 0 764 0 765 0 9264 125.605 7.344 7.857 1 U 8.180e+02 0.00e+00 m 0 764 0 765 0 9267 120.282 3.516 8.734 1 U 8.710e+02 0.00e+00 m 0 743 0 744 0 9268 120.282 3.162 8.734 1 U 9.650e+02 0.00e+00 m 0 743 0 744 0 9287 125.605 8.443 7.857 1 U 1.156e+03 0.00e+00 m 0 764 0 765 0 9290 125.605 5.634 7.857 1 U 6.080e+02 0.00e+00 m 0 764 0 765 0 9294 115.445 3.580 8.414 1 U 1.680e+03 0.00e+00 m 0 774 777 775 0 9303 115.445 7.581 8.414 1 U 8.020e+02 0.00e+00 m 0 774 0 775 0 9306 130.479 8.956 9.505 1 U 9.340e+02 0.00e+00 m 0 787 0 792 0 9307 130.479 8.485 9.505 1 U 3.145e+03 0.00e+00 m 0 787 0 792 0 9308 130.479 8.381 9.505 1 U 1.335e+03 0.00e+00 m 0 787 0 792 0 9309 130.479 8.166 9.505 1 U 1.093e+03 0.00e+00 m 0 787 0 792 0 9310 130.479 7.076 9.505 1 U 1.234e+03 0.00e+00 m 0 787 0 792 0 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118.590 2.278 8.045 1 U 1.031e+03 0.00e+00 m 0 1480 0 1481 0 10070 118.590 0.571 8.045 1 U 1.012e+03 0.00e+00 m 0 1480 0 1481 0 10091 112.165 4.578 6.737 1 U 7.100e+02 0.00e+00 m 0 1518 0 1519 0 10092 119.848 2.149 8.274 1 U 7.620e+02 0.00e+00 m 0 1572 0 1573 0 10108 119.590 0.668 7.647 1 U 9.000e+02 0.00e+00 m 0 1582 0 1583 0 10109 119.590 -0.010 7.647 1 U 8.570e+02 0.00e+00 m 0 1582 0 1583 0 10121 124.409 0.677 7.538 1 U 7.180e+02 0.00e+00 m 0 1597 0 1598 0 10135 115.435 1.311 7.969 1 U 8.340e+02 0.00e+00 m 0 1607 0 1608 0 10138 112.583 3.700 6.761 1 U 9.700e+02 0.00e+00 m 0 1461 0 1462 0 10139 103.992 1.315 7.426 1 U 6.980e+02 0.00e+00 m 0 1625 0 1626 0 10140 103.992 3.869 7.426 1 U 1.747e+03 0.00e+00 m 0 1625 0 1626 0 10141 103.992 7.259 7.426 1 U 9.340e+02 0.00e+00 m 0 1625 0 1626 0 10142 120.344 7.257 7.107 1 U 4.357e+03 0.00e+00 m 0 1632 1658 1633 0 10150 120.344 3.466 7.107 1 U 1.163e+03 0.00e+00 m 0 1632 0 1633 0 10182 115.513 7.275 8.854 1 U 1.273e+03 0.00e+00 m 0 1696 0 1697 0 10188 115.513 5.104 8.854 1 U 2.391e+03 0.00e+00 m 0 1696 0 1697 0 10196 123.660 7.311 7.762 1 U 1.127e+03 0.00e+00 m 0 1711 0 1712 0 10198 115.513 3.111 8.854 1 U 1.065e+03 0.00e+00 m 0 1696 0 1697 0 10203 115.513 0.228 8.854 1 U 6.720e+02 0.00e+00 m 0 1696 0 1697 0 10214 123.660 3.055 7.762 1 U 8.050e+02 0.00e+00 m 0 1711 0 1712 0 10227 126.731 5.159 8.374 1 U 8.970e+02 0.00e+00 m 0 1729 0 1730 0 10236 127.229 7.175 8.622 1 U 1.025e+03 0.00e+00 m 0 1747 0 1748 0 10243 127.229 0.906 8.622 1 U 1.187e+03 0.00e+00 m 0 1747 0 1748 0 10248 116.555 8.553 8.864 1 U 6.900e+02 0.00e+00 m 0 1770 0 1771 0 10249 116.555 4.982 8.864 1 U 3.480e+02 0.00e+00 m 0 1770 0 1771 0 10254 116.555 0.870 8.864 1 U 8.290e+02 0.00e+00 m 0 1770 0 1771 0 10255 116.555 0.463 8.864 1 U 6.760e+02 0.00e+00 m 0 1770 0 1771 0 10267 131.184 11.119 11.119 1 U 3.533e+03 0.00e+00 m 0 690 695 695 0 10268 131.184 7.509 11.119 1 U 7.360e+02 0.00e+00 m 0 690 698 695 0 10269 131.184 6.827 11.119 1 U 9.160e+02 0.00e+00 m 0 690 691 695 0 10270 115.110 10.447 6.879 1 U 6.300e+02 0.00e+00 m 0 996 1014 997 0 10272 127.203 7.318 9.201 1 U 5.320e+02 0.00e+00 m 0 1347 0 1352 0 10273 127.203 9.201 9.201 1 U 1.983e+04 0.00e+00 m 0 1347 1352 1352 0 10275 119.679 7.476 8.882 1 U 1.046e+03 0.00e+00 m 0 1334 0 1335 0 10304 113.289 2.740 6.936 1 U 8.720e+02 0.00e+00 m 0 321 0 323 0 10305 113.289 2.744 7.632 1 U 1.231e+03 0.00e+00 m 0 321 0 322 0 10317 123.887 5.374 8.920 1 U 1.174e+03 0.00e+00 m 0 389 0 390 0 10319 126.865 4.691 9.000 1 U 1.275e+03 0.00e+00 m 0 417 0 418 0 10322 126.865 0.779 9.000 1 U 1.674e+03 0.00e+00 m 0 417 0 418 0 10325 109.313 1.105 6.693 1 U 1.650e+03 0.00e+00 m 0 441 0 443 0 10326 109.313 0.730 6.693 1 U 3.076e+03 0.00e+00 m 0 441 0 443 0 10335 126.464 5.028 0.945 1 U 1.950e+02 0.00e+00 m 0 446 431 0 0 10349 117.643 2.050 9.012 1 U 1.371e+03 0.00e+00 m 0 537 0 538 0 10356 119.679 9.457 8.882 1 U 1.570e+03 0.00e+00 m 0 1334 1359 1335 0 10357 121.256 8.462 8.462 1 U 1.963e+04 0.00e+00 m 0 1376 1377 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7.313 9.453 1 U 6.550e+02 0.00e+00 m 0 1358 0 1359 0 10621 118.829 5.665 9.453 1 U 4.400e+02 0.00e+00 m 0 1358 0 1359 0 10622 118.829 4.388 9.453 1 U 4.080e+02 0.00e+00 m 0 1358 0 1359 0 10623 118.829 3.862 9.453 1 U 3.900e+02 0.00e+00 m 0 1358 1361 1359 0 10624 118.829 3.798 9.453 1 U 3.290e+02 0.00e+00 m 0 1358 0 1359 0 10625 118.829 3.478 9.453 1 U 3.550e+02 0.00e+00 m 0 1358 0 1359 0 10626 118.829 2.640 9.453 1 U 6.350e+02 0.00e+00 m 0 1358 1364 1359 0 10627 118.829 2.357 9.453 1 U 5.660e+02 0.00e+00 m 0 1358 1363 1359 0 10629 121.256 2.496 8.462 1 U 6.780e+02 0.00e+00 m 0 1376 0 1377 0 10630 121.256 3.862 8.462 1 U 5.860e+02 0.00e+00 m 0 1376 1361 1377 0 10632 121.256 4.385 8.462 1 U 3.028e+03 0.00e+00 m 0 1376 0 1377 0 10634 121.256 4.730 8.462 1 U 5.730e+02 0.00e+00 m 0 1376 0 1377 0 10703 115.862 3.647 7.257 1 U 6.900e+02 0.00e+00 m 0 1657 0 1658 0 10732 116.555 8.618 8.864 1 U 7.410e+02 0.00e+00 m 0 1770 0 1771 0 10733 116.555 9.182 8.864 1 U 5.960e+02 0.00e+00 m 0 1770 0 1771 0 10761 118.776 0.029 7.010 1 U 1.291e+03 0.00e+00 m 0 954 0 955 0 10769 113.807 3.420 8.804 1 U 4.360e+02 0.00e+00 m 0 368 0 369 0 10774 113.807 6.611 8.804 1 U 6.000e+02 0.00e+00 m 0 368 0 369 0 10776 131.184 7.281 11.119 1 U 6.100e+02 0.00e+00 m 0 690 0 695 0 10777 131.184 7.219 11.119 1 U 5.750e+02 0.00e+00 m 0 690 0 695 0 10792 127.203 4.450 9.201 1 U 9.620e+02 0.00e+00 m 0 1347 0 1352 0 10798 123.660 3.124 7.762 1 U 5.260e+02 0.00e+00 m 0 1711 0 1712 0 10799 127.229 5.255 8.622 1 U 5.240e+02 0.00e+00 m 0 1747 0 1748 0 10800 126.440 5.106 8.853 1 U 1.920e+03 0.00e+00 m 0 186 0 187 0 10803 119.925 5.262 8.543 1 U 1.606e+03 0.00e+00 m 0 211 0 212 0 10804 126.924 0.793 8.893 1 U 7.870e+02 0.00e+00 m 0 229 0 230 0 10805 129.322 4.739 9.173 1 U 2.900e+02 0.00e+00 m 0 251 0 252 0 10806 124.253 2.359 6.922 1 U 4.060e+02 0.00e+00 m 0 275 0 276 0 10807 118.058 4.559 8.401 1 U 5.350e+02 0.00e+00 m 0 297 0 298 0 10808 113.386 5.104 7.635 1 U 8.430e+02 0.00e+00 m 0 335 0 336 0 10809 116.092 -0.016 8.677 1 U 4.990e+02 0.00e+00 m 0 340 0 341 0 10810 123.887 1.519 8.920 1 U 6.940e+02 0.00e+00 m 0 389 0 390 0 10811 109.313 7.229 7.174 1 U 7.987e+03 0.00e+00 m 0 441 0 442 0 10812 109.313 7.235 6.693 1 U 8.975e+03 0.00e+00 m 0 441 0 443 0 10813 109.201 8.194 8.003 1 U 3.959e+03 0.00e+00 m 0 517 0 518 0 10814 109.201 8.735 8.003 1 U 4.070e+02 0.00e+00 m 0 517 0 518 0 10815 114.780 7.710 8.276 1 U 4.490e+02 0.00e+00 m 0 598 0 599 0 10816 115.445 7.838 8.414 1 U 5.830e+02 0.00e+00 m 0 774 0 775 0 10817 118.109 3.390 7.571 1 U 1.287e+03 0.00e+00 m 0 798 0 799 0 10820 124.695 4.682 8.473 1 U 5.460e+02 0.00e+00 m 0 80 0 81 0 10821 118.013 0.861 8.069 1 U 4.630e+02 0.00e+00 m 0 97 0 98 0 10822 119.803 7.220 8.768 1 U 4.360e+02 0.00e+00 m 0 1434 0 1435 0 10823 119.006 1.414 8.788 1 U 6.840e+02 0.00e+00 m 0 1523 0 1524 0 10901 125.956 3.027 7.595 1 U 6.570e+02 0.00e+00 m 0 717 0 718 0 10956 117.559 1.871 7.641 1 U 7.610e+02 0.00e+00 m 0 1620 0 1622 0 10957 117.559 3.699 7.641 1 U 8.130e+02 0.00e+00 m 0 1620 0 1622 0 10958 117.559 7.274 7.641 1 U 1.305e+03 0.00e+00 m 0 1620 0 1622 0 10959 117.559 7.180 7.641 1 U 6.230e+02 0.00e+00 m 0 1620 0 1622 0 10967 114.475 7.015 7.028 1 U 9.157e+03 0.00e+00 m 0 1371 1372 1372 0 10968 114.475 7.333 7.028 1 U 5.286e+03 0.00e+00 m 0 1371 1373 1372 0 10969 114.475 7.015 7.334 1 U 5.841e+03 0.00e+00 m 0 1371 1372 1373 0 10971 114.475 7.326 7.334 1 U 5.680e+03 0.00e+00 m 0 1371 1373 1373 0 10974 114.475 2.796 7.028 1 U 4.670e+02 0.00e+00 m 0 1371 0 1372 0 10975 114.475 2.801 7.334 1 U 4.060e+02 0.00e+00 m 0 1371 0 1373 0 10976 114.475 2.487 7.028 1 U 8.510e+02 0.00e+00 m 0 1371 0 1372 0 10977 114.475 2.490 7.334 1 U 9.850e+02 0.00e+00 m 0 1371 0 1373 0 10978 114.475 0.847 7.334 1 U 5.660e+02 0.00e+00 m 0 1371 0 1373 0 10979 114.475 0.841 7.028 1 U 2.410e+02 0.00e+00 m 0 1371 0 1372 0 10990 129.723 9.413 9.409 1 U 3.072e+03 0.00e+00 m 0 0 0 0 0 # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #CYANAFORMAT NhH 10991 125.383 7.026 7.027 1 U 3.880e+03 0.00e+00 m 0 0 0 0 0 # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #CYANAFORMAT NhH 11037 119.679 7.361 8.882 1 U 1.315e+03 0.00e+00 m 0 1334 0 1335 0 11050 126.924 6.385 8.893 1 U 1.360e+02 0.00e+00 m 0 229 0 230 0 11056 125.347 8.768 9.299 1 U 5.240e+02 0.00e+00 m 0 677 0 678 0 11066 116.092 3.851 8.677 1 U 4.680e+02 0.00e+00 m 0 340 0 341 0 11067 116.092 3.160 8.677 1 U 4.530e+02 0.00e+00 m 0 340 0 341 0 11124 127.203 6.922 9.201 1 U 7.340e+02 0.00e+00 m 0 1347 276 1352 0 11128 118.829 3.767 7.524 1 U 6.840e+02 0.00e+00 m 0 1387 0 1388 0 11133 111.118 3.989 8.660 1 U 1.530e+02 0.00e+00 m 0 1780 0 1781 0 11134 109.313 3.648 6.693 1 U 4.630e+02 0.00e+00 m 0 441 0 443 0 11135 109.313 3.660 7.174 1 U 6.460e+02 0.00e+00 m 0 441 0 442 0 11137 106.159 5.380 7.818 1 U 1.177e+03 0.00e+00 m 0 585 0 586 0 11187 126.924 0.125 8.893 1 U 5.050e+02 0.00e+00 m 0 229 0 230 0 11193 129.294 8.881 8.457 1 U 7.540e+02 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