0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 10.9634 12.4076 10.9495 6.82379 7.12261 12.536 9.01112 8.64248 6.56356 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 8.90863 6.65595 6.54743 13.0114 8.82176 10.0962 11.1899 5.00018 5.67502 7.55695 7.80499 7.48086 7.57295 5.71764 8.4312 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 8.7531 7.29309 5.67502 7.55695 8.62476 12.8147 7.57295 5.71764 8.4312 numMergedOcc 0
3 mol 60 unq 2 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 11.5843 12.2509 6.54743 8.82176 16.1296 20.3344 12.544 12.9345 9.95132 numMergedOcc 0
4 mol 60 unq 3 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 11.5843 12.2509 6.54743 8.82176 8.62476 12.8147 7.57295 5.71764 7.48086 numMergedOcc 0
5 mol 60 unq 4 iso 0 dist 8.33063 8.7531 7.29309 9.62257 9.96399 7.55695 11.5843 12.2509 5.00018 8.82176 16.1296 20.3344 14.0656 12.9345 9.95132 numMergedOcc 0
6 mol 60 unq 5 iso 0 dist 8.33063 8.7531 7.29309 9.62257 9.96399 7.55695 11.5843 12.2509 5.00018 8.82176 8.62476 12.8147 8.4312 5.71764 7.48086 numMergedOcc 0
7 mol 60 unq 6 iso 0 dist 8.7531 8.33063 7.29309 9.62257 7.55695 9.96399 11.5843 5.00018 12.2509 8.82176 16.1296 14.0656 20.3344 12.9345 9.95132 numMergedOcc 0
8 mol 60 unq 7 iso 0 dist 8.7531 8.33063 7.29309 9.62257 7.55695 9.96399 11.5843 5.00018 12.2509 8.82176 8.62476 8.4312 12.8147 5.71764 7.48086 numMergedOcc 0
9 mol 60 unq 8 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 11.5843 5.00018 6.54743 8.82176 16.1296 14.0656 12.544 12.9345 9.95132 numMergedOcc 0
10 mol 60 unq 9 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 11.5843 5.00018 6.54743 8.82176 8.62476 8.4312 7.57295 5.71764 7.48086 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 8.26458 7.04044 10.3244 6.19304 5.4148 13.3558 8.73253 6.20232 12.2276 13.8931 10.9746 8.68662 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 8.26458 7.04044 10.3244 6.19304 5.4148 13.3558 8.73253 5.70116 9.73086 12.8207 7.8972 7.4369 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 6.19304 8.70481 13.3558 8.26458 8.73253 10.3244 9.96396 5.4148 14.9342 7.04044 5.70116 7.4369 12.8207 7.8972 9.73086 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 8.70481 9.96396 14.9342 14.8866 8.85586 16.8706 16.0098 8.07446 18.8875 5.16364 15.9527 10.2939 20.0148 5.56296 8.72682 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 8.70481 9.96396 14.9342 14.8866 8.85586 16.8706 16.0098 8.07446 18.8875 5.16364 13.49 8.62198 13.341 6.69436 6.45841 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.70481 9.96396 14.9342 14.8866 8.85586 16.8706 16.0098 8.07446 18.8875 5.16364 11.2069 5.5087 13.3207 5.50891 5.61588 numMergedOcc 0
17 mol 73 unq 6 iso 0 dist 8.70481 9.96396 14.9342 14.8866 8.85586 16.8706 16.0098 8.07446 18.8875 5.16364 10.6713 6.08682 14.498 4.75954 7.83244 numMergedOcc 0
18 mol 73 unq 7 iso 0 dist 8.70481 6.19304 13.3558 14.8866 8.85586 18.0011 16.0098 8.07446 19.3309 5.16364 15.9527 10.2939 20.2944 5.56296 8.72682 numMergedOcc 0
19 mol 73 unq 8 iso 0 dist 8.70481 6.19304 13.3558 14.8866 8.85586 18.0011 16.0098 8.07446 19.3309 5.16364 13.49 8.62198 14.8652 6.69436 6.45841 numMergedOcc 0
20 mol 73 unq 9 iso 0 dist 8.70481 6.19304 13.3558 14.8866 8.85586 18.0011 16.0098 8.07446 19.3309 5.16364 11.2069 5.5087 13.8368 5.50891 5.61588 numMergedOcc 0
21 mol 73 unq 10 iso 0 dist 8.70481 6.19304 13.3558 14.8866 8.85586 18.0011 16.0098 8.07446 19.3309 5.16364 10.6713 6.08682 14.5999 4.75954 7.83244 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 5.89022 8.71039 11.6142 8.40312 5.55373 10.7062 8.86329 3.98662 10.0551 10.7579 5.30999 9.27976 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 11.7385 5.62899 10.7144 7.36779 8.06642 7.21868 7.93372 4.935 9.66543 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.4027 8.20836 13.846 11.7385 5.62899 12.8168 7.36779 8.06642 7.21868 11.988 4.935 9.66543 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 11.3835 5.62899 10.7144 7.36779 4.00092 7.21868 7.93372 4.935 9.66543 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 5.70788 8.28642 13.1536 10.399 7.65448 10.6875 9.77552 4.94983 6.70693 10.4895 4.71678 6.59889 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 5.87555 8.87437 5.49936 5.70788 8.28642 13.1536 10.399 7.65448 10.6875 9.77552 5.97582 9.27706 11.6735 7.11377 8.9192 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 8.56324 7.16148 10.6875 9.35627 9.77552 13.1536 6.70283 7.65448 5.49936 8.28642 5.39112 6.59889 10.4895 4.71678 6.70693 numMergedOcc 0
29 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 9.35627 8.28642 13.1536 8.56324 7.65448 10.6875 9.77552 5.39112 6.70693 10.4895 4.71678 6.59889 numMergedOcc 0
30 mol 152 unq 4 iso 0 dist 6.70283 7.16148 5.49936 9.35627 8.28642 13.1536 8.56324 7.65448 10.6875 9.77552 4.84714 9.27706 11.6735 7.11377 8.9192 numMergedOcc 0
31 mol 152 unq 5 iso 0 dist 8.67331 8.05741 5.49936 11.2078 8.28642 13.1536 14.1618 7.65448 10.6875 9.77552 9.67475 6.70693 10.4895 4.71678 6.59889 numMergedOcc 0
32 mol 152 unq 6 iso 0 dist 8.67331 8.05741 5.49936 11.2078 8.28642 13.1536 14.1618 7.65448 10.6875 9.77552 9.20746 9.27706 11.6735 7.11377 8.9192 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 8.87694 9.70748 14.9058 8.90184 6.85302 18.0414 7.54065 5.74635 13.8792 7.20574 11.0961 11.456 18.4751 8.58039 6.61112 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 16.9992 13.684 21.886 7.24795 17.5454 17.684 24.9351 9.40383 8.73533 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 11.0628 8.38865 12.9778 8.65997 5.22356 7.60506 5.4694 5.0317 5.23634 10.7855 7.3164 6.91318 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 7.22101 7.56888 10.8658 11.0628 8.38865 13.9676 8.65997 5.22356 9.70012 5.4694 5.0317 5.23634 11.2661 7.3164 6.91318 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 7.22101 7.55216 12.4689 11.0628 8.38865 16.9219 8.65997 5.22356 12.9332 5.4694 5.0317 5.23634 12.3663 7.3164 6.91318 numMergedOcc 0
38 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 11.0628 5.4694 12.9778 7.22101 5.22356 6.99063 8.38865 5.0317 6.91318 10.7855 7.3164 5.23634 numMergedOcc 0
39 mol 227 unq 4 iso 0 dist 8.65997 7.56888 9.70012 11.0628 5.4694 13.9676 7.22101 5.22356 10.8658 8.38865 5.0317 6.91318 11.2661 7.3164 5.23634 numMergedOcc 0
40 mol 227 unq 5 iso 0 dist 8.65997 7.55216 12.9332 11.0628 5.4694 16.9219 7.22101 5.22356 12.4689 8.38865 5.0317 6.91318 12.3663 7.3164 5.23634 numMergedOcc 0
41 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 9.62106 8.92743 9.45972 11.4362 7.0298 10.2557 5.77318 7.22525 7.27993 11.9869 6.93188 6.95201 numMergedOcc 0
42 mol 248 unq 0 iso 0 dist 7.21521 8.2965 5.86196 5.99459 9.77666 13.0539 7.69895 5.55137 10.8081 6.17052 4.58289 9.33962 11.4547 7.14182 9.05018 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 5.60748 8.55558 10.5803 12.0576 9.98105 15.8535 8.59697 10.282 11.7465 14.2242 4.67584 8.03219 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 7.46176 7.88519 6.96053 5.60748 8.55558 10.5803 12.0576 9.98105 15.8535 8.59697 10.067 5.85442 10.3406 7.32929 6.9899 numMergedOcc 0
45 mol 259 unq 2 iso 0 dist 7.46176 7.84554 7.64658 5.60748 8.55558 12.4037 12.0576 9.98105 16.9228 8.59697 10.282 11.7465 16.7322 4.67584 8.03219 numMergedOcc 0
46 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 5.60748 8.55558 12.4037 12.0576 9.98105 16.9228 8.59697 10.067 5.85442 12.8546 7.32929 6.9899 numMergedOcc 0
47 mol 259 unq 4 iso 0 dist 7.46176 9.18903 10.5239 5.60748 8.55558 14.4498 12.0576 9.98105 17.9439 8.59697 10.282 11.7465 19.0182 4.67584 8.03219 numMergedOcc 0
48 mol 259 unq 5 iso 0 dist 7.46176 9.18903 10.5239 5.60748 8.55558 14.4498 12.0576 9.98105 17.9439 8.59697 10.067 5.85442 16.0301 7.32929 6.9899 numMergedOcc 0
