0 mol 25 unq 0 iso 0 dist 9.07927 6.44262 7.31767 8.50987 4.51512 6.03987 9.55844 11.0249 4.77954 7.99919 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.73896 5.84852 6.43774 6.96797 5.24762 7.2846 4.4519 11.5679 6.42339 9.33906 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 13.592 8.24309 9.96708 7.54321 6.21799 7.47371 7.12321 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 10.3136 7.80879 9.60661 12.293 11.5088 4.03277 8.91882 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 7.02792 6.20162 6.56369 9.16549 12.6515 7.47343 5.79045 10.694 5.9143 7.82475 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 7.02792 6.20162 6.56369 9.16549 12.6515 7.47343 4.42177 9.82522 5.47563 5.35782 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 7.02792 6.20162 6.56369 10.3136 7.80879 6.65086 12.293 11.5088 6.23008 8.91882 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 6.44766 7.69184 6.85062 14.5984 10.7062 8.40312 10.2997 10.7579 3.98662 9.27976 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.45717 4.28997 6.82262 11.7225 5.61668 8.22656 5.815 9.05342 4.88025 8.26547 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.5778 13.5276 6.49416 14.8658 8.80819 8.94367 19.6907 11.988 8.06642 7.21868 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.5778 13.5276 6.49416 13.131 5.00817 6.37586 16.9457 9.55584 6.95573 9.33924 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.5778 13.5276 6.49416 13.131 5.00817 6.37586 19.6907 11.988 8.06642 7.93372 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 9.56095 6.64179 6.23493 10.1181 5.71071 7.46303 11.3413 12.9034 9.16779 8.97626 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 7.81415 5.6419 9.06952 9.68636 6.84129 7.03423 9.76444 11.9869 7.22525 7.27993 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 8.58958 14.7629 6.56247 7.17987 5.88703 9.45496 12.4759 11.6391 12.4252 7.81215 numMergedOcc 0
15 mol 234 unq 1 iso 0 dist 8.58958 13.5847 9.36357 7.17987 5.88703 6.7625 12.4759 11.6391 5.75498 7.81215 numMergedOcc 0
16 mol 234 unq 2 iso 0 dist 9.70004 14.3229 6.56247 13.9487 5.88703 9.45496 17.6037 11.6391 12.4252 7.81215 numMergedOcc 0
17 mol 234 unq 3 iso 0 dist 9.70004 17.5883 9.36357 13.9487 5.88703 6.7625 17.6037 11.6391 5.75498 7.81215 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 6.0087 11.2678 8.03456 12.1533 7.28249 9.81562 14.6936 10.1317 4.27181 9.3206 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 6.0087 12.338 6.84306 12.1533 7.28249 7.68742 14.6936 10.1317 4.89609 9.3206 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 6.0087 12.431 9.99038 12.1533 7.28249 6.27581 14.6936 10.1317 10.5774 9.3206 numMergedOcc 0
21 mol 236 unq 3 iso 0 dist 6.0087 5.81354 8.35971 6.67907 7.43758 8.04248 7.15922 11.5798 4.66414 8.23087 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 11.1914 4.86771 7.88519 15.7491 12.8903 11.6988 9.46361 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 8.70852 5.07898 7.84554 9.89728 7.64658 7.46176 13.7396 12.8546 10.067 5.85442 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 8.70852 5.07898 7.84554 9.89728 7.64658 7.46176 15.7491 12.8903 11.6988 6.95511 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 9.89728 5.07898 7.46176 11.1914 6.96053 7.88519 15.7491 6.95511 11.6988 9.46361 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 6.42437 5.07898 9.18903 11.1914 10.4881 7.88519 15.7491 17.104 11.6988 9.46361 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 6.42437 5.07898 9.18903 9.89728 10.5239 7.46176 13.7396 16.0301 10.067 5.85442 numMergedOcc 0
28 mol 259 unq 6 iso 0 dist 6.42437 5.07898 9.18903 9.89728 10.5239 7.46176 15.7491 17.104 11.6988 6.95511 numMergedOcc 0
