0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 5.01101 6.42835 11.0298 11.6856 10.2656 16.4761 7.65889 10.4852 11.0958 15.8605 6.86055 4.7319 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.63133 5.46498 5.32694 9.81307 8.43054 11.1513 12.5273 6.92781 10.7015 6.57331 10.8455 6.31718 10.9143 4.65873 5.05803 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.63133 8.71745 10.4155 9.81307 8.43054 16.7405 12.5273 6.92781 16.241 6.57331 10.8455 6.31718 16.4009 4.65873 5.05803 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 6.65595 8.90863 6.54743 7.80499 7.57295 7.48086 11.1899 5.67502 5.00018 8.4312 10.6819 6.43294 11.5843 8.62476 8.7531 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.90863 6.65595 6.54743 7.80499 7.48086 7.57295 11.1899 5.00018 5.67502 8.4312 10.6819 11.5843 6.43294 8.62476 8.7531 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 6.43294 8.33063 10.1562 8.62476 7.57295 12.8147 11.5843 6.54743 12.2509 7.48086 10.6819 6.65595 16.4714 7.80499 8.90863 numMergedOcc 0
6 mol 60 unq 3 iso 0 dist 6.43294 8.7531 5.67502 8.62476 7.57295 8.4312 11.5843 6.54743 5.00018 7.48086 10.6819 6.65595 11.1899 7.80499 8.90863 numMergedOcc 0
7 mol 60 unq 4 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 6.43294 5.67502 10.1562 7.57295 10.6819 11.1899 16.4714 7.80499 6.65595 numMergedOcc 0
8 mol 60 unq 5 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 6.43294 5.67502 10.1562 7.57295 11.3621 12.4656 17.3965 5.6397 9.25011 numMergedOcc 0
9 mol 60 unq 6 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 6.43294 5.67502 10.1562 7.57295 5.51199 11.6311 13.1051 6.55502 8.52121 numMergedOcc 0
10 mol 60 unq 7 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 11.5843 5.00018 12.2509 7.48086 10.6819 11.1899 16.4714 7.80499 8.90863 numMergedOcc 0
11 mol 60 unq 8 iso 0 dist 8.7531 6.43294 5.67502 8.62476 8.4312 7.57295 11.5843 5.00018 6.54743 7.48086 10.6819 11.1899 6.65595 7.80499 8.90863 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 9.96396 5.4148 14.9342 9.73086 15.7123 10.2049 20.257 17.4121 9.38498 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 9.96396 5.4148 14.9342 9.73086 12.016 11.6369 10.1207 14.844 9.75218 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 4.03277 8.91882 10.5432 10.1489 10.8375 10.8586 9.21662 8.98304 16.1937 10.9461 9.39125 8.87449 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 4.03277 8.91882 11.5088 10.1489 10.8375 15.1999 9.21662 8.98304 16.1937 17.5156 9.39125 8.87449 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 6.23008 8.91882 9.76432 13.2001 10.8375 16.3949 9.21662 14.5815 16.1937 19.1149 9.39125 8.87449 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 6.23008 8.91882 11.5088 13.2001 10.8375 15.1999 9.21662 14.5815 16.1937 17.5156 9.39125 8.87449 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 6.65086 9.30209 5.38414 6.23008 8.91882 11.6812 13.2001 10.8375 11.2306 9.21662 14.5815 16.1937 16.4951 9.39125 8.87449 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.24514 9.91388 6.761 5.03174 8.26547 12.4934 10.2995 5.61668 8.28069 9.05342 6.65743 8.22656 10.0372 4.88025 6.82262 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 7.24514 9.52634 7.6656 5.03174 8.26547 13.5471 10.2995 5.61668 12.4308 9.05342 6.65743 8.22656 13.4163 4.88025 6.82262 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.94367 6.49416 8.80819 8.06642 7.21868 11.988 6.37586 5.49782 5.00817 7.93372 6.81259 9.86662 12.5075 4.00092 9.71307 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 8.06642 7.93372 11.988 8.94367 5.49782 8.80819 7.21868 6.81259 9.71307 12.5075 4.00092 9.86662 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 12.3479 9.33094 11.2896 12.5075 6.81259 11.3271 8.69531 8.80819 8.94367 11.9139 7.41373 9.86662 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 12.3479 9.33094 11.2896 12.5075 6.81259 11.3271 8.69531 5.00817 6.37586 9.5126 10.8635 9.71307 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 4.94983 6.70693 10.4895 10.399 7.65448 10.6875 6.59889 5.42328 6.70283 7.16148 5.39112 8.56324 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 8.56324 7.16148 10.6875 5.39112 6.59889 10.4895 6.70283 7.65448 5.49936 6.70693 5.42328 10.399 8.87437 4.94983 5.87555 numMergedOcc 0
27 mol 152 unq 2 iso 0 dist 8.56324 7.16148 10.6875 5.39112 6.59889 10.4895 6.70283 7.65448 5.49936 6.70693 6.4896 14.1618 8.05741 9.67475 8.67331 numMergedOcc 0
28 mol 152 unq 3 iso 0 dist 8.67331 8.05741 5.49936 9.67475 6.70693 10.4895 14.1618 7.65448 10.6875 6.59889 6.4896 6.70283 7.16148 5.39112 8.56324 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 6.65832 6.60589 6.77699 5.76843 6.99769 8.79428 9.16166 11.328 8.49799 6.8692 5.0744 10.103 6.57273 7.05804 5.78342 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 6.65832 6.60589 6.77699 5.76843 6.99769 8.79428 9.16166 11.328 8.49799 6.8692 6.91102 10.9745 10.5128 4.54188 5.81334 numMergedOcc 0
31 mol 224 unq 2 iso 0 dist 6.65832 9.16166 11.328 5.76843 6.99769 6.8692 6.60589 6.77699 8.49799 8.79428 5.0744 10.103 5.78342 7.05804 6.57273 numMergedOcc 0
32 mol 224 unq 3 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 10.103 6.77699 10.9861 6.99769 5.0744 6.60589 9.99123 5.76843 6.65832 numMergedOcc 0
33 mol 224 unq 4 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 5.78342 8.49799 11.5372 6.8692 5.0744 6.60589 9.99123 5.76843 9.16166 numMergedOcc 0
34 mol 224 unq 5 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 5.78342 8.49799 11.5372 6.8692 5.60236 10.5128 14.0676 4.54188 5.81334 numMergedOcc 0
35 mol 224 unq 6 iso 0 dist 6.57273 5.78342 8.49799 7.05804 8.79428 6.8692 10.103 6.77699 11.328 6.99769 5.0744 6.60589 9.16166 5.76843 6.65832 numMergedOcc 0
36 mol 224 unq 7 iso 0 dist 6.60589 6.65832 6.77699 5.76843 8.79428 6.99769 9.16166 8.49799 11.328 6.8692 5.0744 6.57273 10.103 7.05804 5.78342 numMergedOcc 0
37 mol 224 unq 8 iso 0 dist 6.60589 6.65832 6.77699 5.76843 8.79428 6.99769 9.16166 8.49799 11.328 6.8692 6.91102 10.5128 10.9745 4.54188 5.81334 numMergedOcc 0
38 mol 224 unq 9 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 10.103 11.328 10.9861 6.99769 5.0744 9.16166 9.99123 5.76843 6.65832 numMergedOcc 0
39 mol 224 unq 10 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 6.57273 8.49799 4.70378 8.79428 5.0744 9.16166 9.99123 5.76843 6.60589 numMergedOcc 0
40 mol 224 unq 11 iso 0 dist 5.78342 6.57273 8.49799 7.05804 6.8692 8.79428 10.103 11.328 6.77699 6.99769 5.0744 9.16166 6.60589 5.76843 6.65832 numMergedOcc 0
41 mol 224 unq 12 iso 0 dist 9.16166 6.65832 11.328 5.76843 6.8692 6.99769 6.60589 8.49799 6.77699 8.79428 5.0744 5.78342 10.103 7.05804 6.57273 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 7.22101 5.22356 6.99063 5.23634 4.39704 10.8157 10.4905 5.83175 7.09863 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 7.22101 5.22356 10.8658 5.23634 4.39704 10.8157 11.0431 5.83175 7.09863 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 7.22101 5.22356 12.4689 5.23634 4.39704 10.8157 10.0334 5.83175 7.09863 numMergedOcc 0
45 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 7.22525 7.27993 11.9869 11.4362 7.0298 10.2557 6.95201 9.5716 11.6115 15.0418 4.61227 9.87838 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 10.3162 9.12776 8.69015 19.5656 15.7907 16.9605 9.72188 17.126 14.6111 13.9263 7.06793 5.72887 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 12.2293 9.46361 18.7675 10.3935 6.96053 15.7715 6.95511 4.69778 7.88519 10.5767 11.6988 7.46176 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 7.46176 7.88519 6.96053 10.067 5.85442 10.3406 12.0576 9.98105 15.8535 6.9899 12.5353 11.858 15.9169 7.09907 5.30224 numMergedOcc 0
49 mol 259 unq 2 iso 0 dist 7.46176 7.84554 7.64658 10.067 5.85442 12.8546 12.0576 9.98105 16.9228 6.9899 12.5353 11.858 18.2309 7.09907 5.30224 numMergedOcc 0
50 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 11.6988 6.95511 12.8903 7.88519 6.96053 4.86771 9.46361 4.69778 10.3935 9.95973 12.2293 8.13497 numMergedOcc 0
51 mol 259 unq 4 iso 0 dist 7.46176 9.18903 10.5239 10.067 5.85442 16.0301 12.0576 9.98105 17.9439 6.9899 12.5353 11.858 20.3294 7.09907 5.30224 numMergedOcc 0
52 mol 259 unq 5 iso 0 dist 7.46176 9.18903 10.5239 11.6988 6.95511 17.104 7.88519 6.96053 10.4881 9.46361 4.69778 10.3935 12.6839 12.2293 8.13497 numMergedOcc 0
