0 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 5.23054 6.73167 8.25132 9.27369 5.30297 10.177 6.07276 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.73259 8.18809 8.6385 5.23054 6.73167 7.73394 9.27369 5.30297 7.36856 6.07276 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.60352 8.26353 5.69955 12.0047 6.73167 8.25132 10.6535 5.30297 10.177 6.07276 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.60352 7.06347 8.6385 12.0047 6.73167 7.73394 10.6535 5.30297 7.36856 6.07276 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.46609 13.1626 8.44506 6.0606 6.38243 7.11305 6.17217 5.66783 11.9684 6.81793 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 9.82649 15.8624 24.4789 9.19977 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 7.4518 14.7862 23.3751 7.28831 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 9.1687 9.42916 18.2573 9.71411 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 9.82649 15.8624 20.2792 9.19977 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 7.4518 14.7862 19.3357 7.28831 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 9.1687 9.42916 16.6164 9.71411 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 9.82649 15.8624 19.7304 9.19977 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 7.4518 14.7862 17.211 7.28831 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 9.1687 9.42916 17.9577 9.71411 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 23.1889 15.8624 24.4789 9.19977 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 22.7533 14.7862 23.3751 7.28831 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 14.5196 9.42916 18.2573 9.71411 numMergedOcc 0
17 mol 93 unq 12 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 23.1889 15.8624 20.2792 9.19977 numMergedOcc 0
18 mol 93 unq 13 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 22.7533 14.7862 19.3357 7.28831 numMergedOcc 0
19 mol 93 unq 14 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 14.5196 9.42916 16.6164 9.71411 numMergedOcc 0
20 mol 93 unq 15 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 23.1889 15.8624 19.7304 9.19977 numMergedOcc 0
21 mol 93 unq 16 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 22.7533 14.7862 17.211 7.28831 numMergedOcc 0
22 mol 93 unq 17 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 14.5196 9.42916 17.9577 9.71411 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 6.0733 4.58263 8.56003 3.75291 9.05336 6.11469 10.2391 10.0747 14.5979 9.94998 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 9.02669 6.11331 13.7172 15.5957 10.8263 14.6377 9.97968 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 6.30259 6.07821 4.48323 12.8147 7.97232 8.4858 9.35202 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 6.69054 5.58953 9.11712 8.2542 8.999 4.00127 14.451 11.6944 11.4288 7.47964 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 12.1522 5.53324 10.0756 13.3459 5.92931 8.65535 4.19371 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 5.18485 6.72182 11.8031 9.76361 7.50057 12.4952 9.00322 numMergedOcc 0
29 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 12.1522 5.53324 10.2793 13.3459 5.92931 12.0009 4.19371 numMergedOcc 0
30 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 5.18485 6.72182 9.09233 9.76361 7.50057 15.1649 9.00322 numMergedOcc 0
31 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 12.1522 5.53324 10.463 13.3459 5.92931 12.645 4.19371 numMergedOcc 0
32 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 5.18485 6.72182 4.66791 9.76361 7.50057 6.72379 9.00322 numMergedOcc 0
33 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 12.1522 5.53324 12.8494 13.3459 5.92931 13.9101 4.19371 numMergedOcc 0
34 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 5.18485 6.72182 7.73551 9.76361 7.50057 13.2138 9.00322 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 12.7272 7.8744 3.97158 16.6413 8.98957 10.8091 6.94762 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 8.28454 10.754 8.87609 12.7272 7.8744 3.97158 13.2144 6.59663 10.281 7.7086 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 8.38439 4.15973 8.50331 7.9415 9.14068 11.5307 10.483 5.92456 12.6259 6.15635 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 10.7358 9.39658 5.6214 18.7077 17.2823 12.9597 8.09509 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 9.11782 7.37478 8.70069 11.3989 5.89415 13.6219 8.98854 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 5.63154 5.15837 8.29305 9.11782 7.37478 8.70069 18.2826 15.1378 16.8274 9.42255 numMergedOcc 0
41 mol 279 unq 2 iso 0 dist 5.63154 8.33297 6.43341 9.11782 7.37478 4.14939 11.3989 5.89415 9.09855 8.98854 numMergedOcc 0
42 mol 279 unq 3 iso 0 dist 5.63154 8.33297 6.43341 9.11782 7.37478 4.14939 18.2826 15.1378 10.6879 9.42255 numMergedOcc 0
