0 mol 0 unq 0 iso 0 dist 9.16606 6.94181 5.85361 5.47921 11.788 7.15528 9.83355 14.8746 9.19662 6.26831 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.82883 8.60571 5.55214 11.3111 13.9071 9.04767 17.7985 15.3076 10.6873 9.58855 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 8.09751 8.96916 12.7068 5.92158 9.27725 6.45675 13.7941 11.0598 11.8512 9.00544 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 8.09751 8.96916 12.7068 5.92158 9.27725 6.45675 12.3707 15.9654 9.52882 7.12017 numMergedOcc 0
4 mol 100 unq 2 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 13.7941 11.0598 14.9392 9.00544 numMergedOcc 0
5 mol 100 unq 3 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 12.3707 15.9654 12.6602 7.12017 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.47253 8.97043 10.1455 5.19652 9.54842 6.11741 9.73461 7.5774 6.08806 5.74857 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 9.63161 6.24392 4.7848 5.50061 10.2273 6.06638 9.31118 8.49668 5.5703 9.46588 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 6.65856 6.42706 5.83384 12.3218 7.79894 6.67948 8.03372 numMergedOcc 0
9 mol 142 unq 0 iso 0 dist 7.21779 7.15087 9.15453 8.68855 10.1001 9.2313 13.971 9.55357 12.6057 9.17106 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 6.74526 6.14896 7.34962 9.80484 14.282 7.56373 9.93982 9.79525 4.90038 8.41195 numMergedOcc 0
11 mol 209 unq 1 iso 0 dist 8.12326 6.14896 7.61997 9.80484 13.2724 7.56373 9.93982 7.48645 4.90038 8.41195 numMergedOcc 0
12 mol 209 unq 2 iso 0 dist 8.68691 9.12289 7.34962 11.2544 14.282 7.56373 10.7597 9.79525 4.90038 8.41195 numMergedOcc 0
13 mol 209 unq 3 iso 0 dist 7.37014 9.12289 7.61997 11.2544 13.2724 7.56373 10.7597 7.48645 4.90038 8.41195 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 7.99609 8.7419 4.81992 5.01062 7.73634 6.00706 12.6432 10.8503 6.03524 8.48341 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 7.99609 8.5834 9.69122 5.01062 7.73634 7.54212 12.6432 10.8503 7.60395 8.48341 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 5.65373 11.2048 8.22528 11.5087 12.0548 11.6847 8.92743 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 6.86281 5.00457 6.36273 5.65373 11.2048 7.03423 11.5087 12.0548 9.62106 8.92743 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.75366 4.87108 10.3683 7.45873 14.2408 6.22714 11.1268 15.9012 10.216 5.64181 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.75366 7.64276 10.313 7.45873 14.2408 7.31233 11.1268 15.9012 7.83352 5.64181 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.73425 8.21585 5.90131 5.13233 9.04358 6.42289 12.9634 9.27882 5.27959 9.53063 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 9.65711 8.21585 4.51422 5.13233 10.0455 6.42289 12.9634 8.38085 5.27959 9.53063 numMergedOcc 0
