0 mol 25 unq 0 iso 0 dist 8.50987 6.44262 6.03987 9.55844 7.99919 4.77954 9.07927 4.51512 7.31767 11.0249 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 6.96797 5.84852 7.2846 4.4519 9.33906 6.42339 9.73896 5.24762 6.43774 11.5679 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 7.54321 6.21799 7.47371 13.592 8.24309 9.96708 7.12321 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 7.09258 10.0936 9.78528 5.2819 5.03251 9.67587 13.592 8.24309 9.96708 9.35457 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 7.09258 10.0936 9.78528 3.53164 7.66093 7.07356 13.592 8.24309 9.96708 12.1131 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 6.5136 11.085 8.03644 5.9335 9.3948 11.3215 19.738 16.6055 9.03572 19.7448 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 6.5136 11.085 8.03644 5.9335 9.3948 11.3215 18.2727 13.8105 8.83255 19.9408 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 6.5136 11.085 8.03644 9.88003 9.74607 5.06946 19.738 16.6055 9.03572 11.97 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 6.5136 11.085 8.03644 9.88003 9.74607 5.06946 18.2727 13.8105 8.83255 13.5721 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 10.1153 8.84018 7.20875 21.8083 13.1058 9.84395 16.804 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.1421 7.86921 8.54584 5.75588 5.51197 12.1739 9.55967 4.61027 8.53613 9.97604 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.1421 7.86921 8.54584 4.18263 8.86944 5.63254 9.55967 4.61027 8.53613 11.1246 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 6.1421 7.86921 8.54584 3.82645 6.69691 8.26896 9.55967 4.61027 8.53613 10.5979 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 9.54663 6.95124 8.54584 11.0564 5.51197 12.1739 11.8349 4.61027 8.53613 9.97604 numMergedOcc 0
14 mol 129 unq 4 iso 0 dist 9.54663 6.95124 8.54584 7.22602 8.86944 5.63254 11.8349 4.61027 8.53613 11.1246 numMergedOcc 0
15 mol 129 unq 5 iso 0 dist 9.54663 6.95124 8.54584 5.71616 6.69691 8.26896 11.8349 4.61027 8.53613 10.5979 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 7.08715 9.27976 3.98662 10.6353 5.55373 7.12972 10.0551 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 7.49404 7.91807 8.40312 7.08715 9.27976 3.98662 11.6897 10.7062 6.85062 10.7579 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.45717 4.28997 6.82262 5.815 9.05342 4.88025 11.7225 5.61668 8.22656 8.26547 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 7.85025 13.8058 8.00618 13.4842 8.77023 15.0115 13.0581 8.18495 7.11802 12.5855 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 6.7954 6.61112 11.0961 11.9058 13.8792 9.70748 18.4751 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 5.47189 5.48717 7.54065 6.7954 6.61112 11.0961 10.1325 5.74635 8.87694 11.456 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 9.68636 5.6419 7.03423 9.76444 7.27993 7.22525 7.81415 6.84129 9.06952 11.9869 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 7.17987 14.7629 9.45496 12.4759 7.81215 12.4252 8.58958 5.88703 6.56247 11.6391 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 7.17987 13.5847 6.7625 12.4759 7.81215 5.75498 8.58958 5.88703 9.36357 11.6391 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 6.67907 5.81354 8.04248 7.15922 8.23087 4.66414 6.0087 7.43758 8.35971 11.5798 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.89728 5.07898 7.46176 13.7396 5.85442 10.067 11.1914 6.96053 7.88519 10.3406 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 9.89728 5.07898 7.46176 13.7396 5.85442 10.067 8.70852 7.64658 7.84554 12.8546 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 9.89728 5.07898 7.46176 13.7396 5.85442 10.067 6.42437 10.5239 9.18903 16.0301 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 9.89728 5.07898 7.46176 15.7491 6.95511 11.6988 11.1914 6.96053 7.88519 9.46361 numMergedOcc 0
30 mol 259 unq 4 iso 0 dist 9.89728 5.07898 7.46176 15.7491 6.95511 11.6988 8.70852 7.64658 7.84554 12.8903 numMergedOcc 0
31 mol 259 unq 5 iso 0 dist 9.89728 5.07898 7.46176 15.7491 6.95511 11.6988 6.42437 10.5239 9.18903 17.104 numMergedOcc 0
