0 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 8.25132 5.84066 6.73167 10.177 4.98603 5.30297 6.07276 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.73162 8.44506 8.13684 7.11305 9.96121 6.38243 11.9684 10.8434 5.66783 6.81793 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.36431 6.61823 10.4141 5.31547 13.3865 6.98037 9.75237 16.7823 8.67827 6.59716 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 8.36431 6.61823 10.4141 4.3481 10.5758 6.9223 9.75237 16.7823 8.67827 6.87506 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 8.36431 6.49956 4.36639 4.3481 10.5758 7.0561 9.75237 16.7823 13.0818 6.87506 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 9.68677 9.08536 9.57341 17.8739 15.4934 14.8901 8.67537 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 8.57203 12.3382 6.78801 11.8964 10.637 5.66194 7.75314 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 12.6005 12.3382 6.78801 14.9021 10.637 5.66194 7.75314 numMergedOcc 0
8 mol 131 unq 2 iso 0 dist 9.51418 9.29384 15.1974 12.6005 20.4658 6.78801 14.9021 20.2427 5.66194 7.75314 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 13.2918 12.0433 6.77921 11.0743 13.2993 5.38571 6.65731 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 10.0756 12.0979 5.53324 8.65535 10.7231 5.92931 4.19371 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 11.8031 10.6632 6.72182 12.4952 8.87374 7.50057 9.00322 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 5.48258 8.83356 7.69247 10.463 11.4718 5.53324 12.645 11.8663 5.92931 4.19371 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 5.48258 8.83356 7.69247 4.66791 7.10155 6.72182 6.72379 4.26755 7.50057 9.00322 numMergedOcc 0
14 mol 194 unq 4 iso 0 dist 6.15769 8.83356 13.9521 10.463 16.4919 5.53324 12.645 18.1378 5.92931 4.19371 numMergedOcc 0
15 mol 194 unq 5 iso 0 dist 6.15769 8.83356 13.9521 4.66791 9.48418 6.72182 6.72379 10.0315 7.50057 9.00322 numMergedOcc 0
16 mol 194 unq 6 iso 0 dist 8.38695 8.2654 6.8278 12.8494 12.0979 5.53324 13.9101 10.7231 5.92931 4.19371 numMergedOcc 0
17 mol 194 unq 7 iso 0 dist 8.38695 8.2654 6.8278 7.73551 10.6632 6.72182 13.2138 8.87374 7.50057 9.00322 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 6.04871 5.87439 6.34234 9.26504 4.4994 6.0634 6.22742 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 8.36117 7.62942 9.08602 8.04534 14.8033 7.87972 11.9628 17.2509 11.4252 9.24936 numMergedOcc 0
20 mol 195 unq 2 iso 0 dist 6.77578 7.62942 8.18628 6.04871 8.18059 6.34234 9.26504 5.99784 6.0634 6.22742 numMergedOcc 0
21 mol 195 unq 3 iso 0 dist 6.77578 7.62942 8.18628 8.04534 12.7484 7.87972 11.9628 12.65 11.4252 9.24936 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.19953 8.37597 8.5129 5.13732 5.73591 8.54702 10.0553 6.957 10.0385 5.05368 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.34718 8.50331 11.6774 11.5307 14.3086 9.14068 12.6259 15.2132 5.92456 6.15635 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.02188 7.71657 8.12927 4.74189 11.6498 8.20485 10.1085 6.99137 8.62248 9.63518 numMergedOcc 0
