0 mol 26 unq 0 iso 0 dist 5.69955 9.87119 7.61055 8.25132 6.73167 10.267 10.177 5.30297 7.3022 6.07276 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.6385 4.74747 7.61055 7.73394 6.73167 10.267 7.36856 5.30297 7.3022 6.07276 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 16.1023 7.8435 12.1673 24.4789 15.8624 21.3303 9.19977 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.81831 8.58164 7.85041 16.1023 7.8435 12.1673 23.3751 14.7862 18.9091 7.28831 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 9.81831 8.58164 7.85041 16.1023 7.8435 12.1673 18.2573 9.42916 17.0156 9.71411 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 9.12858 9.67788 7.85041 12.4934 7.8435 12.1673 20.2792 15.8624 21.3303 9.19977 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 9.12858 9.67788 7.85041 12.4934 7.8435 12.1673 19.3357 14.7862 18.9091 7.28831 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 9.12858 9.67788 7.85041 12.4934 7.8435 12.1673 16.6164 9.42916 17.0156 9.71411 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 9.4523 5.33106 7.85041 10.8106 7.8435 12.1673 19.7304 15.8624 21.3303 9.19977 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 9.4523 5.33106 7.85041 10.8106 7.8435 12.1673 17.211 14.7862 18.9091 7.28831 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 9.4523 5.33106 7.85041 10.8106 7.8435 12.1673 17.9577 9.42916 17.0156 9.71411 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 6.43433 6.72991 7.82011 10.5563 5.43933 8.36589 11.5768 5.91698 13.5414 7.67238 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 6.43433 6.72991 7.82011 6.75738 7.44041 9.69404 12.9739 15.0784 17.8039 8.72725 numMergedOcc 0
13 mol 112 unq 2 iso 0 dist 9.92283 8.57646 7.82011 12.6108 5.43933 8.36589 14.3677 5.91698 13.5414 7.67238 numMergedOcc 0
14 mol 112 unq 3 iso 0 dist 9.92283 8.57646 7.82011 5.43385 7.44041 9.69404 10.1861 15.0784 17.8039 8.72725 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 9.15431 7.71288 9.39683 4.57579 6.78801 8.34485 10.8571 5.66194 14.0282 7.75314 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.92648 4.89973 9.39683 8.57203 6.78801 8.34485 11.8964 5.66194 14.0282 7.75314 numMergedOcc 0
17 mol 131 unq 2 iso 0 dist 9.29384 7.00551 9.39683 12.6005 6.78801 8.34485 14.9021 5.66194 14.0282 7.75314 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.25673 6.01455 7.88655 4.78563 8.612 4.38322 7.78652 6.60479 6.46089 5.06564 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 7.25673 6.01455 7.88655 4.78563 8.612 4.38322 8.91301 7.54337 10.1154 7.5373 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 7.88319 6.63727 6.39981 13.7172 6.11331 9.88872 14.6377 10.8263 12.3466 9.97968 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 7.25742 4.57561 7.13269 4.48323 6.07821 4.27525 8.4858 7.97232 5.9032 9.35202 numMergedOcc 0
22 mol 188 unq 0 iso 0 dist 8.57261 12.0548 7.48284 9.71636 7.79115 6.39872 7.14503 5.0782 11.4648 8.66624 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 10.0756 5.53324 8.31541 8.65535 5.92931 11.6497 4.19371 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 6.26839 15.9311 9.77862 11.8031 6.72182 6.72001 12.4952 7.50057 9.3402 9.00322 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 8.12346 13.7758 9.77862 10.2793 5.53324 8.31541 12.0009 5.92931 11.6497 4.19371 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 8.12346 13.7758 9.77862 9.09233 6.72182 6.72001 15.1649 7.50057 9.3402 9.00322 numMergedOcc 0
27 mol 194 unq 4 iso 0 dist 8.83356 5.38925 9.77862 10.463 5.53324 8.31541 12.645 5.92931 11.6497 4.19371 numMergedOcc 0
28 mol 194 unq 5 iso 0 dist 8.83356 5.38925 9.77862 4.66791 6.72182 6.72001 6.72379 7.50057 9.3402 9.00322 numMergedOcc 0
29 mol 194 unq 6 iso 0 dist 8.2654 14.2415 9.77862 12.8494 5.53324 8.31541 13.9101 5.92931 11.6497 4.19371 numMergedOcc 0
30 mol 194 unq 7 iso 0 dist 8.2654 14.2415 9.77862 7.73551 6.72182 6.72001 13.2138 7.50057 9.3402 9.00322 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 6.60567 13.6975 9.79691 5.41635 6.34234 10.5776 7.36683 6.0634 14.0228 6.22742 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 6.60567 13.6975 9.79691 11.9954 7.87972 4.18074 17.8873 11.4252 9.82588 9.24936 numMergedOcc 0
33 mol 195 unq 2 iso 0 dist 7.62942 6.08211 9.79691 6.04871 6.34234 10.5776 9.26504 6.0634 14.0228 6.22742 numMergedOcc 0
34 mol 195 unq 3 iso 0 dist 7.62942 6.08211 9.79691 8.04534 7.87972 4.18074 11.9628 11.4252 9.82588 9.24936 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 3.97158 7.8744 6.24324 10.8091 8.98957 10.8228 6.94762 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 3.97158 7.8744 6.24324 10.281 6.59663 7.73748 7.7086 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 8.03442 6.43754 7.1372 5.0317 9.43618 4.09934 7.43071 12.8075 12.2922 9.18728 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 8.03442 6.43754 7.1372 5.0317 9.43618 4.09934 5.41321 4.59123 7.57454 8.91971 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 6.11473 4.23801 6.57207 5.6214 9.39658 9.43777 12.9597 17.2823 16.7719 8.09509 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 8.29305 5.3373 8.23056 8.70069 7.37478 10.8722 13.6219 5.89415 12.8413 8.98854 numMergedOcc 0
41 mol 279 unq 1 iso 0 dist 8.29305 5.3373 8.23056 8.70069 7.37478 10.8722 16.8274 15.1378 17.3994 9.42255 numMergedOcc 0
42 mol 279 unq 2 iso 0 dist 6.43341 7.18967 8.23056 4.14939 7.37478 10.8722 9.09855 5.89415 12.8413 8.98854 numMergedOcc 0
43 mol 279 unq 3 iso 0 dist 6.43341 7.18967 8.23056 4.14939 7.37478 10.8722 10.6879 15.1378 17.3994 9.42255 numMergedOcc 0
