0 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 5.07458 10.0168 6.66407 10.9975 10.8828 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 5.61579 13.1897 5.38524 8.69057 15.561 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 5.61579 13.1897 8.69057 5.38524 15.561 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 10.6819 6.65595 11.1899 16.4714 8.62476 7.57295 8.4312 12.8147 7.80499 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 11.3621 9.25011 12.4656 17.3965 8.62476 7.57295 8.4312 12.8147 5.6397 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 5.51199 8.52121 11.6311 13.1051 8.62476 7.57295 8.4312 12.8147 6.55502 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 6.20232 12.2276 8.68662 13.8931 18.7673 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 5.70116 9.73086 7.4369 12.8207 17.4121 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 6.20232 12.2276 8.68662 13.8931 17.2422 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 5.70116 9.73086 7.4369 12.8207 14.844 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 11.2069 13.3207 5.5087 13.8368 19.0013 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 10.6713 14.498 6.08682 14.5999 21.9204 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 11.2069 13.3207 5.5087 13.8368 6.19168 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 10.6713 14.498 6.08682 14.5999 10.532 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 6.9948 7.97049 6.19965 11.2656 5.59906 10.2413 7.7068 11.2056 4.41789 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.35224 9.60661 7.80879 7.17106 8.87654 11.5403 5.88134 6.56369 6.65086 10.5134 4.03277 11.5088 8.91882 10.5432 6.23008 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 6.23008 9.76432 8.91882 11.5088 5.16579 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 6.23008 9.76432 8.91882 11.5088 14.4607 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 6.23008 9.76432 8.91882 11.6812 5.16579 numMergedOcc 0
19 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 6.23008 9.76432 8.91882 11.6812 14.4607 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 5.9143 11.9928 7.82475 10.694 9.70168 numMergedOcc 0
21 mol 100 unq 6 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 5.47563 9.94341 5.35782 9.82522 10.8282 numMergedOcc 0
22 mol 100 unq 7 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 5.9143 11.9928 7.82475 14.966 9.70168 numMergedOcc 0
23 mol 100 unq 8 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 5.47563 9.94341 5.35782 13.4844 10.8282 numMergedOcc 0
24 mol 100 unq 9 iso 0 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 5.9143 10.694 7.82475 11.9928 9.70168 numMergedOcc 0
25 mol 100 unq 10 iso 0 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 5.47563 9.82522 5.35782 9.94341 10.8282 numMergedOcc 0
26 mol 100 unq 11 iso 0 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 5.88134 9.35224 12.0662 10.5853 5.9143 10.694 7.82475 14.966 9.70168 numMergedOcc 0
27 mol 100 unq 12 iso 0 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 5.88134 9.35224 12.0662 10.5853 5.47563 9.82522 5.35782 13.4844 10.8282 numMergedOcc 0
28 mol 100 unq 13 iso 0 dist 6.56369 6.65086 7.80879 7.47343 12.6515 8.8807 5.88134 9.35224 9.60661 12.0662 6.23008 11.5088 8.91882 9.76432 4.03277 numMergedOcc 0
29 mol 100 unq 14 iso 0 dist 6.56369 6.65086 7.80879 9.30209 6.39938 5.38414 5.88134 9.35224 9.60661 10.5853 6.23008 11.5088 8.91882 11.6812 4.03277 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69052 9.33865 13.8473 6.11741 5.03039 10.5599 6.04595 11.8378 11.1447 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69052 6.11741 13.8473 9.33865 5.03039 11.8378 6.04595 10.5599 11.1447 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 6.01673 10.0255 6.24825 13.22 6.95773 numMergedOcc 0
33 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 13.1058 9.84395 16.5575 17.163 3.55765 10.4223 8.19331 8.85711 15.7476 numMergedOcc 0
34 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 13.1058 9.84395 17.163 16.5575 3.55765 10.4223 8.85711 8.19331 15.7476 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 9.52634 7.24514 7.6656 9.91388 6.69554 6.761 9.56949 6.5107 12.0352 9.66421 5.03174 13.5471 8.26547 12.4934 14.5233 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 6.95573 13.9752 9.33924 9.55584 10.2026 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 8.06642 7.21868 7.93372 11.988 4.00092 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 8.06642 7.93372 7.21868 11.988 4.00092 numMergedOcc 0
39 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 8.06642 11.988 7.21868 7.93372 12.847 numMergedOcc 0
40 mol 134 unq 4 iso 0 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 6.95573 9.55584 9.33924 13.9752 9.45357 numMergedOcc 0
41 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 8.06642 11.988 7.93372 7.21868 12.847 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.42328 5.87555 10.399 8.87437 5.39112 6.70693 6.59889 10.4895 4.94983 numMergedOcc 0
43 mol 152 unq 1 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.42328 5.87555 10.399 8.87437 4.84714 9.27706 8.9192 11.6735 5.97582 numMergedOcc 0
44 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 6.4896 8.67331 14.1618 8.05741 5.39112 6.70693 6.59889 10.4895 9.67475 numMergedOcc 0
45 mol 152 unq 3 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 6.4896 8.67331 14.1618 8.05741 4.84714 9.27706 8.9192 11.6735 9.20746 numMergedOcc 0
46 mol 152 unq 4 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 5.42328 8.87437 10.399 5.87555 5.39112 10.4895 6.59889 6.70693 4.94983 numMergedOcc 0
47 mol 152 unq 5 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 5.42328 8.87437 10.399 5.87555 4.84714 11.6735 8.9192 9.27706 5.97582 numMergedOcc 0
48 mol 152 unq 6 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 6.4896 8.05741 14.1618 8.67331 5.39112 10.4895 6.59889 6.70693 9.67475 numMergedOcc 0
49 mol 152 unq 7 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 6.4896 8.05741 14.1618 8.67331 4.84714 11.6735 8.9192 9.27706 9.20746 numMergedOcc 0
50 mol 152 unq 8 iso 0 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 5.42328 8.87437 5.87555 10.399 5.39112 10.4895 6.70693 6.59889 4.94983 numMergedOcc 0
51 mol 152 unq 9 iso 0 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 6.4896 8.05741 8.67331 14.1618 5.39112 10.4895 6.70693 6.59889 9.67475 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 12.9532 13.2783 9.76212 18.2853 12.7791 numMergedOcc 0
53 mol 186 unq 0 iso 0 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 9.50685 9.09754 10.7914 18.6929 11.0961 11.456 6.61112 18.4751 12.4091 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 7.05804 8.79428 6.8692 13.2325 5.76843 numMergedOcc 0
55 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.0744 6.57273 10.103 5.78342 5.76843 8.79428 6.99769 6.8692 7.05804 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.0744 6.57273 5.78342 10.103 5.76843 8.79428 6.8692 6.99769 7.05804 numMergedOcc 0
57 mol 224 unq 3 iso 0 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.0744 9.16166 6.60589 9.99123 7.05804 6.8692 8.79428 13.2325 5.76843 numMergedOcc 0
58 mol 224 unq 4 iso 0 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.60236 5.81334 10.5128 14.0676 7.05804 6.8692 8.79428 13.2325 4.54188 numMergedOcc 0
59 mol 224 unq 5 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 5.0744 5.78342 10.103 6.57273 5.76843 6.8692 6.99769 8.79428 7.05804 numMergedOcc 0
60 mol 224 unq 6 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 6.91102 5.81334 10.9745 10.5128 5.76843 6.8692 6.99769 8.79428 4.54188 numMergedOcc 0
61 mol 224 unq 7 iso 0 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.0744 5.78342 6.57273 10.103 5.76843 6.8692 8.79428 6.99769 7.05804 numMergedOcc 0
62 mol 224 unq 8 iso 0 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 6.91102 5.81334 10.5128 10.9745 5.76843 6.8692 8.79428 6.99769 4.54188 numMergedOcc 0
63 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 4.39704 7.09863 10.8157 10.4905 5.0317 5.23634 6.91318 10.7855 5.83175 numMergedOcc 0
64 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 4.39704 7.09863 10.8157 11.0431 5.0317 5.23634 6.91318 11.2661 5.83175 numMergedOcc 0
65 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 4.39704 7.09863 10.8157 10.0334 5.0317 5.23634 6.91318 12.3663 5.83175 numMergedOcc 0
66 mol 252 unq 0 iso 0 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 7.40852 13.1298 7.15764 10.5687 5.6214 numMergedOcc 0
67 mol 252 unq 1 iso 0 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 6.0987 8.1715 10.5136 8.1148 7.40852 10.5687 7.15764 13.1298 5.6214 numMergedOcc 0
68 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 10.067 10.3406 5.85442 12.8546 11.4598 numMergedOcc 0
69 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 11.6988 9.46361 6.95511 12.8903 12.2293 numMergedOcc 0
70 mol 259 unq 2 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 10.067 10.3406 5.85442 16.0301 11.4598 numMergedOcc 0
71 mol 259 unq 3 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 11.6988 9.46361 6.95511 17.104 12.2293 numMergedOcc 0
