0 mol 58 unq 0 iso 0 dist 7.15486 4.98107 9.4099 8.52969 10.6169 9.55426 11.6772 15.2973 9.7274 6.81627 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.15486 4.98107 9.4099 8.52969 10.6169 9.55426 9.0406 11.396 5.90225 7.32874 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 7.15486 10.6169 9.4099 6.58144 13.4544 6.47414 6.64012 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 18.6654 16.9836 16.6055 9.03572 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 17.0664 16.9811 13.8105 8.83255 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 16.3282 12.0662 5.88134 9.60661 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 17.6466 12.6515 6.56369 16.3282 12.0662 5.88134 9.35224 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 19.8126 12.0662 5.88134 9.60661 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 21.6939 12.6515 6.56369 19.8126 12.0662 5.88134 9.35224 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.99089 12.6542 6.49416 15.1189 8.80819 8.94367 19.2233 12.5075 6.81259 9.86662 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 19.2233 12.5075 6.81259 9.71307 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 12.2418 5.56175 8.94056 16.0664 12.0598 10.1658 7.66148 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 7.04318 6.2715 5.6234 10.1323 7.652 7.42466 9.92231 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 7.04318 6.2715 9.92231 8.09861 9.0018 7.42466 5.6234 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 8.50904 6.2715 9.0018 10.1323 9.92231 7.42466 7.652 numMergedOcc 0
15 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 8.50904 6.2715 7.652 8.09861 5.6234 7.42466 9.0018 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 10.4945 10.7062 8.88798 5.98885 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 13.1106 14.9794 12.1628 9.15386 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 6.02375 10.4905 4.39704 7.09863 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 6.02375 11.0431 4.39704 7.09863 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 6.02375 10.0334 4.39704 7.09863 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 15.1099 6.0987 8.1148 16.8096 9.2288 8.41807 8.1715 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 9.78185 16.8096 9.2288 15.1099 6.0987 8.1715 17.5012 8.33025 8.41807 8.1148 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 14.1932 9.95973 4.69778 8.13497 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 14.1932 10.3935 4.69778 8.13497 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 7.7309 9.29412 6.05727 7.26647 4.63549 8.43057 4.95196 10.0703 10.1239 7.73141 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 7.66615 5.40809 8.46116 11.4664 13.2494 8.12676 9.97651 numMergedOcc 0
