0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 8.43054 4.65873 9.81307 6.92781 5.05803 12.5273 6.57331 5.32694 10.9143 5.46498 11.1513 10.7015 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 5.32694 5.46498 10.9143 11.1513 6.92781 12.5273 5.05803 6.57331 10.7015 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.31718 7.63133 10.8455 8.43054 4.65873 9.81307 6.92781 5.05803 12.5273 6.57331 10.4155 16.4009 8.71745 16.7405 16.241 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 10.4155 8.71745 16.4009 16.7405 6.92781 12.5273 5.05803 6.57331 16.241 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.65595 6.43294 10.6819 7.57295 7.80499 8.62476 6.54743 8.90863 11.5843 7.48086 10.1562 16.4714 8.33063 12.8147 12.2509 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 10.1562 8.33063 16.4714 12.8147 6.54743 11.5843 8.90863 7.48086 12.2509 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 7.57295 7.80499 8.62476 6.54743 8.90863 11.5843 7.48086 5.67502 11.1899 8.7531 8.4312 5.00018 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 5.67502 8.7531 11.1899 8.4312 6.54743 11.5843 8.90863 7.48086 5.00018 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.19965 7.66905 6.9948 7.7068 4.41789 5.59906 5.42586 7.97049 7.47541 10.2413 10.1164 11.2656 5.73196 11.2056 6.87425 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 7.66905 6.19965 6.9948 7.7068 5.59906 4.41789 10.1164 5.73196 11.2656 11.2056 5.42586 7.47541 7.97049 10.2413 6.87425 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 11.5403 7.17106 10.5134 10.5432 8.8807 12.0662 7.47343 9.76432 17.5254 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 8.8807 7.47343 12.0662 9.76432 11.5403 10.5134 7.17106 10.5432 17.5254 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 11.5403 7.17106 10.5134 10.5432 7.80879 9.35224 6.56369 11.5088 8.87654 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 7.80879 6.56369 9.35224 11.5088 11.5403 10.5134 7.17106 10.5432 8.87654 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 11.5403 7.17106 10.5134 10.5432 5.38414 10.5853 9.30209 11.6812 8.7812 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 5.38414 9.30209 10.5853 11.6812 11.5403 10.5134 7.17106 10.5432 8.7812 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 7.80879 9.35224 6.56369 11.5088 8.8807 12.0662 7.47343 9.76432 12.6515 numMergedOcc 0
17 mol 100 unq 3 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 8.8807 7.47343 12.0662 9.76432 7.80879 6.56369 9.35224 11.5088 12.6515 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 7.80879 9.35224 6.56369 11.5088 5.38414 10.5853 9.30209 11.6812 6.39938 numMergedOcc 0
19 mol 100 unq 4 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 5.38414 9.30209 10.5853 11.6812 7.80879 6.56369 9.35224 11.5088 6.39938 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.33865 5.83991 7.69052 6.24825 6.95773 6.01673 8.02349 6.11741 7.88312 10.0255 10.8507 13.8473 7.30858 13.22 11.5723 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 10.8507 7.30858 13.8473 13.22 8.02349 7.88312 6.11741 10.0255 11.5723 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.24514 8.22656 6.65743 8.26547 5.03174 4.88025 6.761 9.91388 10.0372 12.4934 5.61668 10.2995 6.82262 9.05342 8.28069 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 8.22656 7.24514 6.65743 8.26547 4.88025 5.03174 5.61668 6.82262 10.2995 9.05342 6.761 10.0372 9.91388 12.4934 8.28069 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 7.24514 8.22656 6.65743 8.26547 5.03174 4.88025 7.6656 9.52634 13.4163 13.5471 5.61668 10.2995 6.82262 9.05342 12.4308 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 8.22656 7.24514 6.65743 8.26547 4.88025 5.03174 5.61668 6.82262 10.2995 9.05342 7.6656 13.4163 9.52634 13.5471 12.4308 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 8.80819 6.49416 12.5075 11.988 5.49782 6.37586 9.71307 7.93372 5.00817 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 5.49782 9.71307 6.37586 7.93372 8.80819 12.5075 6.49416 11.988 5.00817 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 6.81259 9.86662 12.5075 8.69531 5.00526 11.9139 6.54501 11.2896 11.3271 numMergedOcc 0
29 mol 134 unq 1 iso 1 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 5.00526 6.54501 11.9139 11.2896 6.81259 12.5075 9.86662 8.69531 11.3271 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 5.00817 6.49416 12.5075 9.55584 5.49782 8.94367 9.86662 13.9752 8.80819 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 9.33924 10.2026 6.95573 5.49782 9.86662 8.94367 13.9752 5.00817 12.5075 6.49416 9.55584 8.80819 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.00817 6.49416 12.5075 11.988 5.49782 8.94367 9.86662 7.21868 8.80819 numMergedOcc 0
33 mol 134 unq 3 iso 1 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 5.49782 9.86662 8.94367 7.21868 5.00817 12.5075 6.49416 11.988 8.80819 numMergedOcc 0
34 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 6.81259 9.71307 12.5075 8.69531 5.00526 9.5126 6.54501 11.2896 11.3271 numMergedOcc 0
35 mol 134 unq 4 iso 1 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 5.00526 6.54501 9.5126 11.2896 6.81259 12.5075 9.71307 8.69531 11.3271 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 6.70693 4.94983 5.39112 5.49936 8.87437 7.16148 10.4895 7.65448 10.399 8.56324 6.59889 10.6875 numMergedOcc 0
37 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 6.70693 5.39112 4.94983 7.65448 8.56324 10.399 6.59889 5.49936 7.16148 8.87437 10.4895 10.6875 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 6.70693 5.39112 9.67475 7.65448 8.56324 14.1618 6.59889 5.49936 7.16148 8.05741 10.4895 10.6875 numMergedOcc 0
39 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 6.70693 9.67475 5.39112 5.49936 8.05741 7.16148 10.4895 7.65448 14.1618 8.56324 6.59889 10.6875 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 4.70378 8.95269 9.99123 13.2325 6.77699 10.103 6.65832 6.99769 10.9861 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 6.77699 6.65832 10.103 6.99769 4.70378 9.99123 8.95269 13.2325 10.9861 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 4.70378 8.95269 9.99123 13.2325 8.49799 5.78342 9.16166 6.8692 11.5372 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 8.49799 9.16166 5.78342 6.8692 4.70378 9.99123 8.95269 13.2325 11.5372 numMergedOcc 0
44 mol 224 unq 2 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 8.49799 5.78342 9.16166 6.8692 6.77699 10.103 6.65832 6.99769 11.328 numMergedOcc 0
45 mol 224 unq 2 iso 1 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 6.77699 6.65832 10.103 6.99769 8.49799 9.16166 5.78342 6.8692 11.328 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.5372 8.95269 9.99123 13.2325 11.328 10.103 6.65832 6.99769 10.9861 numMergedOcc 0
47 mol 224 unq 2 iso 1 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 11.328 6.65832 10.103 6.99769 11.5372 9.99123 8.95269 13.2325 10.9861 numMergedOcc 0
48 mol 224 unq 3 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.5372 8.95269 9.99123 13.2325 8.49799 6.57273 6.60589 8.79428 4.70378 numMergedOcc 0
49 mol 224 unq 3 iso 1 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 8.49799 6.60589 6.57273 8.79428 11.5372 9.99123 8.95269 13.2325 4.70378 numMergedOcc 0
50 mol 224 unq 4 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 8.49799 6.57273 6.60589 8.79428 11.328 10.103 6.65832 6.99769 6.77699 numMergedOcc 0
51 mol 224 unq 4 iso 1 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 11.328 6.65832 10.103 6.99769 8.49799 6.60589 6.57273 8.79428 6.77699 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 9.46361 12.2293 11.6988 10.582 8.53687 10.5767 18.7675 4.86771 9.95973 7.84554 12.8903 10.4756 numMergedOcc 0
53 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 4.86771 7.84554 9.95973 12.8903 10.582 10.5767 8.53687 18.7675 10.4756 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 8.13497 7.88519 4.69778 9.46361 12.2293 11.6988 10.582 8.53687 10.5767 18.7675 6.96053 10.3935 7.46176 6.95511 15.7715 numMergedOcc 0
55 mol 259 unq 1 iso 1 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 6.96053 7.46176 10.3935 6.95511 10.582 10.5767 8.53687 18.7675 15.7715 numMergedOcc 0
56 mol 259 unq 2 iso 0 dist 8.13497 7.88519 4.69778 9.46361 12.2293 11.6988 10.582 8.53687 10.5767 18.7675 10.4881 12.6839 9.18903 17.104 12.5247 numMergedOcc 0
57 mol 259 unq 2 iso 1 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 10.4881 9.18903 12.6839 17.104 10.582 10.5767 8.53687 18.7675 12.5247 numMergedOcc 0
