0 mol 7 unq 0 iso 0 dist 6.36911 10.2446 7.45262 5.03847 9.97624 10.1959 10.5461 10.515 5.72491 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 10.2446 7.45262 5.03847 9.97624 10.1959 8.41585 6.06176 7.88043 10.3148 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.36911 12.3097 6.96586 5.03847 9.97624 13.9514 8.41585 6.06176 8.80762 10.3148 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.36807 5.44992 7.45262 13.8829 9.97624 10.1959 7.10621 10.515 5.72491 8.72114 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 9.36807 5.44992 7.45262 13.8829 9.97624 10.1959 12.2333 6.06176 7.88043 10.3148 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 9.36807 4.74523 6.96586 13.8829 9.97624 13.9514 12.2333 6.06176 8.80762 10.3148 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.47421 3.98483 8.04924 9.5997 9.57198 7.28672 8.57077 5.60154 9.78006 9.62394 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.99777 7.3094 9.9928 5.22052 5.60389 9.18958 7.88312 11.7126 5.72642 12.13 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 5.92984 7.26955 11.7884 14.5183 7.36192 7.99857 14.2293 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 7.39889 9.3046 5.85818 5.92984 7.26955 11.7884 16.7981 10.6679 8.56342 17.9198 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 9.63176 4.91132 5.85818 15.5019 7.26955 11.7884 10.3704 7.36192 7.99857 14.2293 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 9.63176 4.91132 5.85818 15.5019 7.26955 11.7884 8.73993 10.6679 8.56342 17.9198 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 7.44174 7.61939 5.85818 10.314 7.26955 11.7884 9.87172 7.36192 7.99857 14.2293 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 7.44174 7.61939 5.85818 10.314 7.26955 11.7884 12.6489 10.6679 8.56342 17.9198 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.31468 6.41287 8.1582 10.0059 6.46089 11.5146 10.6877 6.01455 7.63338 7.78652 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 7.31468 7.11704 7.88655 10.0059 6.46089 6.60479 10.6877 6.01455 7.25673 7.78652 numMergedOcc 0
16 mol 143 unq 2 iso 0 dist 7.7056 11.488 8.1582 8.57817 6.46089 11.5146 12.7524 6.01455 7.63338 7.78652 numMergedOcc 0
17 mol 143 unq 3 iso 0 dist 7.7056 9.53139 7.88655 8.57817 6.46089 6.60479 12.7524 6.01455 7.25673 7.78652 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 6.88137 7.7635 7.04913 6.14767 7.30946 8.40261 10.2717 5.07967 7.73169 7.30357 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.13543 5.93488 9.52987 5.77299 6.32777 11.1881 5.98885 10.0524 6.51749 10.6908 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.13543 5.93488 9.52987 5.77299 6.32777 11.1881 9.09537 5.95965 7.20392 11.3325 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 6.90541 5.48276 7.48284 10.5721 9.33696 5.87427 13.353 12.0548 8.57261 8.10214 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 8.36822 7.0057 8.53433 8.49529 7.33225 3.86183 5.59424 5.71262 7.24199 8.77999 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.17891 10.5813 7.1372 10.9607 7.57454 4.59123 7.22101 6.43754 8.03442 5.41321 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 6.95902 7.22396 7.1372 9.72615 7.57454 4.59123 8.65997 6.43754 8.03442 5.41321 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.48005 5.60748 6.39918 8.81835 8.71497 6.31909 7.46176 5.79468 8.55558 7.08526 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 7.48005 5.60748 6.39918 8.81835 8.71497 6.31909 12.0576 5.31048 8.59697 10.4552 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 8.37865 7.31951 6.39918 8.75685 8.71497 6.31909 11.858 5.79468 8.55558 7.08526 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 8.37865 7.31951 6.39918 8.75685 8.71497 6.31909 5.30224 5.31048 8.59697 10.4552 numMergedOcc 0
