0 mol 62 unq 0 iso 0 dist 9.58156 9.1926 13.7909 11.1016 8.1599 17.7055 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.04163 6.16745 3.85805 4.86753 8.2377 10.0651 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.32453 8.63792 3.69293 4.35001 6.4551 6.46582 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 4.75701 6.02596 4.79453 5.13128 9.44078 10.177 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 4.75701 6.02596 4.79453 4.14427 5.9179 6.10053 numMergedOcc 0
5 mol 90 unq 2 iso 0 dist 9.89618 8.17454 4.79453 9.88666 9.44078 10.177 numMergedOcc 0
6 mol 90 unq 3 iso 0 dist 9.89618 8.17454 4.79453 10.1669 5.9179 6.10053 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 7.2461 7.59747 6.79448 7.8832 7.09405 12.6215 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.20009 5.56598 5.61274 11.9512 7.04864 11.0505 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 8.14799 5.39792 5.61274 10.1556 7.04864 11.0505 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 8.14799 8.44206 3.35803 10.1556 7.04864 8.03124 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 9.99727 8.09682 12.2105 11.1664 8.67193 17.5341 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 9.99727 8.35926 12.5368 11.1664 8.67193 13.4724 numMergedOcc 0
13 mol 123 unq 2 iso 0 dist 9.99727 7.41568 6.21159 11.1664 8.67193 12.2647 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.29975 6.01995 6.12885 7.49664 9.3894 4.82356 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.09426 8.78251 4.04122 7.40628 8.03995 11.7368 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 7.86668 8.20259 9.97638 4.04112 8.62103 9.49242 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.1663 8.46486 8.5907 11.0215 7.88794 14.2185 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.71825 6.23243 3.57917 4.12315 7.75084 7.45831 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 7.58175 8.88629 8.75116 5.51625 6.1197 11.9348 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.95261 9.79593 10.9989 15.2818 7.82899 18.1476 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.70123 9.50155 6.7745 4.31756 9.77689 10.2999 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 6.70123 9.50155 6.7745 11.7666 8.51931 13.7019 numMergedOcc 0
