0 mol 10 unq 0 iso 0 dist 8.97985 6.97549 8.37646 5.64721 8.40467 11.3234 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.97985 6.47424 8.31255 5.64721 8.40467 7.30932 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.35401 9.7728 3.17053 14.3063 8.95648 9.24383 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 6.29808 8.07673 9.90334 11.2872 9.39923 17.2425 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.95208 9.07283 4.48872 6.87877 9.35075 6.45933 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.25047 8.63792 3.35924 14.7997 9.78762 12.7979 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 5.93561 5.81859 9.79375 6.60434 9.05604 7.68838 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 5.33967 5.81859 3.54756 6.60434 5.58623 7.68838 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 5.93365 6.98134 3.43966 6.15779 9.17843 7.70636 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 5.93365 6.98134 3.43966 9.13854 7.31364 6.82267 numMergedOcc 0
10 mol 116 unq 2 iso 0 dist 6.99944 7.65919 6.48852 8.68996 9.17843 14.2693 numMergedOcc 0
11 mol 116 unq 3 iso 0 dist 6.99944 7.65919 6.48852 5.50076 7.31364 10.2409 numMergedOcc 0
12 mol 116 unq 4 iso 0 dist 6.99944 8.55413 3.43966 8.68996 9.17843 7.70636 numMergedOcc 0
13 mol 116 unq 5 iso 0 dist 6.99944 8.55413 3.43966 5.50076 7.31364 6.82267 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 5.20001 5.94465 9.7683 6.63536 8.54233 8.16392 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 8.62413 8.42277 12.7725 11.3239 8.46972 13.9608 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.62413 6.26653 10.2785 11.3239 8.46972 13.0642 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 5.4767 6.46335 5.42052 10.6654 8.57638 13.0914 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.58055 7.45508 3.13463 4.30527 8.03092 7.14918 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 6.58055 5.79883 11.0087 4.30527 8.03092 9.29322 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 8.106 7.17276 3.12129 5.72409 8.39635 9.33601 numMergedOcc 0
