0 mol 26 unq 0 iso 0 dist 9.27369 5.23054 6.07276 6.73259 5.30297 6.73167 4.09495 10.177 8.25132 5.69955 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.27369 5.23054 6.07276 6.73259 5.30297 6.73167 8.18809 7.36856 7.73394 8.6385 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.17217 6.0606 6.81793 9.46609 5.66783 6.38243 13.1626 11.9684 7.11305 8.44506 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.59552 5.92795 6.59716 10.3334 8.67827 6.98037 11.104 9.75237 5.31547 6.61823 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 5.59552 10.2656 6.87506 10.3334 8.67827 6.9223 11.104 9.75237 4.3481 6.61823 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 5.59552 10.2656 6.87506 16.1036 13.0818 7.0561 11.104 9.75237 4.3481 6.49956 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.4518 3.91263 7.28831 8.42713 14.7862 7.8435 17.674 23.3751 16.1023 9.81831 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.4518 3.91263 7.28831 8.42713 14.7862 7.8435 15.232 19.3357 12.4934 9.12858 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 7.4518 3.91263 7.28831 8.42713 14.7862 7.8435 12.5871 17.211 10.8106 9.4523 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 9.1687 3.91263 9.71411 8.42713 9.42916 7.8435 17.674 18.2573 16.1023 9.81831 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 9.1687 3.91263 9.71411 8.42713 9.42916 7.8435 15.232 16.6164 12.4934 9.12858 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 9.1687 3.91263 9.71411 8.42713 9.42916 7.8435 12.5871 17.9577 10.8106 9.4523 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 5.42828 3.61827 8.72725 10.7968 15.0784 7.44041 9.42867 12.9739 6.75738 6.43433 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 5.42828 3.61827 8.72725 10.7968 15.0784 7.44041 6.68714 10.1861 5.43385 9.92283 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.34823 5.92411 8.67537 9.15988 14.8901 9.57341 10.5268 17.8739 9.68677 7.77116 numMergedOcc 0
15 mol 170 unq 0 iso 0 dist 9.53158 10.2179 6.47164 14.5669 7.29587 5.13268 7.71028 6.35982 4.78249 8.15099 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.21194 9.12839 7.47964 10.2264 11.6944 8.999 12.1995 11.4288 4.00127 9.11712 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.80931 3.7157 6.22742 9.63146 6.0634 6.34234 5.90604 7.36683 5.41635 6.60567 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 8.80931 3.7157 6.22742 9.63146 6.0634 6.34234 8.97729 9.26504 6.04871 7.62942 numMergedOcc 0
19 mol 195 unq 2 iso 0 dist 8.13947 6.61517 9.24936 12.5586 11.4252 7.87972 17.3581 17.8873 11.9954 6.60567 numMergedOcc 0
20 mol 195 unq 3 iso 0 dist 8.13947 6.61517 9.24936 12.5586 11.4252 7.87972 8.95444 11.9628 8.04534 7.62942 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 9.79381 11.9758 6.94762 14.9604 8.98957 7.8744 15.124 10.8091 3.97158 8.87609 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 8.37379 12.7552 6.94762 14.5569 8.98957 7.8744 16.3786 10.8091 3.97158 8.87609 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.37813 5.45156 6.15635 9.30828 5.92456 9.14068 9.01197 12.6259 11.5307 8.50331 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 9.14116 4.88971 6.15635 13.6144 5.92456 9.14068 16.0865 12.6259 11.5307 8.50331 numMergedOcc 0
