0 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 5.82428 8.84665 12.5396 10.1226 8.25513 8.19458 6.40295 18.0681 10.0246 6.85766 17.79 14.0127 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 9.83775 13.0222 7.71095 10.1226 8.25513 8.19458 5.82428 8.84665 12.5396 6.40295 18.0681 10.0246 6.85766 14.0127 17.79 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 7.15352 9.28444 6.65595 11.0491 9.25011 4.73512 4.80738 6.43294 10.6819 11.3621 13.4319 6.54743 8.90863 10.0828 11.5843 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 7.15352 9.28444 6.65595 4.80738 6.43294 10.6819 11.0491 9.25011 4.73512 11.3621 13.4319 6.54743 8.90863 11.5843 10.0828 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 7.15352 9.28444 6.65595 11.0491 9.25011 4.73512 6.28337 8.52121 8.93946 7.66664 13.4319 6.54743 8.90863 10.0828 12.4757 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 7.15352 9.28444 6.65595 6.28337 8.52121 8.93946 11.0491 9.25011 4.73512 7.66664 13.4319 6.54743 8.90863 12.4757 10.0828 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 7.15352 9.28444 6.65595 4.80738 6.43294 10.6819 6.28337 8.52121 8.93946 5.51199 13.4319 6.54743 8.90863 11.5843 12.4757 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 7.15352 9.28444 6.65595 6.28337 8.52121 8.93946 4.80738 6.43294 10.6819 5.51199 13.4319 6.54743 8.90863 12.4757 11.5843 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 11.0491 9.25011 11.3621 4.73512 12.4311 10.1562 8.33063 16.4714 17.3965 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 9.28444 6.65595 10.6819 4.73512 12.4311 10.1562 8.33063 17.3965 16.4714 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 11.0491 9.25011 11.3621 4.73512 11.7612 5.67502 8.7531 11.1899 12.4656 numMergedOcc 0
11 mol 60 unq 3 iso 1 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 9.28444 6.65595 10.6819 4.73512 11.7612 5.67502 8.7531 12.4656 11.1899 numMergedOcc 0
12 mol 60 unq 4 iso 0 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 6.28337 8.52121 5.51199 8.93946 12.4311 10.1562 8.33063 16.4714 13.1051 numMergedOcc 0
13 mol 60 unq 4 iso 1 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 9.28444 6.65595 10.6819 8.93946 12.4311 10.1562 8.33063 13.1051 16.4714 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 6.28337 8.52121 5.51199 8.93946 11.7612 5.67502 8.7531 11.1899 11.6311 numMergedOcc 0
15 mol 60 unq 5 iso 1 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 9.28444 6.65595 10.6819 8.93946 11.7612 5.67502 8.7531 11.6311 11.1899 numMergedOcc 0
16 mol 60 unq 4 iso 0 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 6.28337 8.52121 5.51199 7.66664 12.4311 10.1562 8.33063 17.3965 13.1051 numMergedOcc 0
17 mol 60 unq 4 iso 1 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 11.0491 9.25011 11.3621 7.66664 12.4311 10.1562 8.33063 13.1051 17.3965 numMergedOcc 0
18 mol 60 unq 5 iso 0 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 6.28337 8.52121 5.51199 7.66664 11.7612 5.67502 8.7531 12.4656 11.6311 numMergedOcc 0
19 mol 60 unq 5 iso 1 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 11.0491 9.25011 11.3621 7.66664 11.7612 5.67502 8.7531 11.6311 12.4656 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 7.80518 8.70481 14.9342 13.3558 14.8693 15.7123 9.38498 10.2049 20.257 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 9.59988 6.19304 5.4148 13.3558 14.8693 15.7123 9.38498 20.257 10.2049 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 7.80518 8.70481 14.9342 13.3558 10.5158 12.016 9.75218 11.6369 10.1207 numMergedOcc 0
23 mol 73 unq 1 iso 1 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 9.59988 6.19304 5.4148 13.3558 10.5158 12.016 9.75218 10.1207 11.6369 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 6.53819 7.95579 4.26409 15.3279 7.66905 6.9948 10.7229 14.3639 5.42586 7.97049 11.3023 7.47541 numMergedOcc 0
25 mol 85 unq 0 iso 1 dist 9.67557 9.9705 6.19965 15.3279 7.66905 6.9948 6.53819 7.95579 4.26409 10.7229 14.3639 5.42586 7.97049 7.47541 11.3023 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 9.9705 6.19965 6.9948 4.26409 14.3639 5.42586 7.47541 11.3023 7.97049 numMergedOcc 0
27 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 6.53819 7.95579 10.7229 4.26409 14.3639 5.42586 7.47541 7.97049 11.3023 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 9.9705 6.19965 6.9948 4.26409 19.3849 10.1164 5.73196 15.309 11.2656 numMergedOcc 0
29 mol 85 unq 2 iso 1 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 6.53819 7.95579 10.7229 4.26409 19.3849 10.1164 5.73196 11.2656 15.309 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 5.71475 7.17106 11.5403 10.3954 9.35224 7.80879 8.87654 11.1764 5.88134 6.65086 10.5134 6.56369 numMergedOcc 0
31 mol 100 unq 0 iso 1 dist 7.689 14.9329 9.60661 10.3954 9.35224 7.80879 5.71475 7.17106 11.5403 8.87654 11.1764 5.88134 6.65086 6.56369 10.5134 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.689 10.3954 9.35224 14.9329 9.60661 7.80879 5.71475 7.17106 8.87654 11.5403 11.1764 5.88134 6.56369 6.65086 10.5134 numMergedOcc 0
33 mol 100 unq 1 iso 1 dist 7.689 10.3954 9.35224 5.71475 7.17106 8.87654 14.9329 9.60661 7.80879 11.5403 11.1764 5.88134 6.56369 10.5134 6.65086 numMergedOcc 0
34 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 4.95357 6.56369 12.6515 7.80879 14.2807 5.33144 6.45675 10.1409 11.8665 numMergedOcc 0
35 mol 100 unq 2 iso 1 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 6.60925 6.65086 8.8807 7.80879 14.2807 5.33144 6.45675 11.8665 10.1409 numMergedOcc 0
36 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 4.95357 6.56369 12.6515 7.80879 15.6365 10.1407 8.86688 14.9102 13.6959 numMergedOcc 0
37 mol 100 unq 3 iso 1 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 6.60925 6.65086 8.8807 7.80879 15.6365 10.1407 8.86688 13.6959 14.9102 numMergedOcc 0
38 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 5.05858 9.30209 13.887 5.38414 14.2807 5.33144 6.45675 10.1409 13.912 numMergedOcc 0
39 mol 100 unq 4 iso 1 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 6.60925 6.65086 8.8807 5.38414 14.2807 5.33144 6.45675 13.912 10.1409 numMergedOcc 0
40 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 5.05858 9.30209 13.887 5.38414 15.6365 10.1407 8.86688 14.9102 18.2109 numMergedOcc 0
41 mol 100 unq 5 iso 1 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 6.60925 6.65086 8.8807 5.38414 15.6365 10.1407 8.86688 18.2109 14.9102 numMergedOcc 0
42 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 5.05858 9.30209 13.887 6.39938 14.2807 5.33144 6.45675 11.8665 13.912 numMergedOcc 0
43 mol 100 unq 4 iso 1 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 4.95357 6.56369 12.6515 6.39938 14.2807 5.33144 6.45675 13.912 11.8665 numMergedOcc 0
44 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 5.05858 9.30209 13.887 6.39938 15.6365 10.1407 8.86688 13.6959 18.2109 numMergedOcc 0
45 mol 100 unq 5 iso 1 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 4.95357 6.56369 12.6515 6.39938 15.6365 10.1407 8.86688 18.2109 13.6959 numMergedOcc 0
46 mol 100 unq 6 iso 0 dist 9.22737 6.60925 6.65086 12.9061 7.47343 8.8807 4.95357 6.56369 7.80879 12.6515 12.7823 5.88134 9.60661 12.0662 9.35224 numMergedOcc 0
47 mol 100 unq 6 iso 1 dist 9.22737 6.60925 6.65086 4.95357 6.56369 7.80879 12.9061 7.47343 8.8807 12.6515 12.7823 5.88134 9.60661 9.35224 12.0662 numMergedOcc 0
48 mol 100 unq 7 iso 0 dist 9.22737 6.60925 6.65086 12.9061 7.47343 8.8807 5.05858 9.30209 5.38414 13.887 12.7823 5.88134 9.60661 12.0662 10.5853 numMergedOcc 0
49 mol 100 unq 7 iso 1 dist 9.22737 6.60925 6.65086 5.05858 9.30209 5.38414 12.9061 7.47343 8.8807 13.887 12.7823 5.88134 9.60661 10.5853 12.0662 numMergedOcc 0
50 mol 100 unq 7 iso 0 dist 9.22737 6.60925 6.65086 4.95357 6.56369 7.80879 5.05858 9.30209 5.38414 6.39938 12.7823 5.88134 9.60661 9.35224 10.5853 numMergedOcc 0
51 mol 100 unq 7 iso 1 dist 9.22737 6.60925 6.65086 5.05858 9.30209 5.38414 4.95357 6.56369 7.80879 6.39938 12.7823 5.88134 9.60661 10.5853 9.35224 numMergedOcc 0
52 mol 100 unq 8 iso 0 dist 9.22737 4.95357 6.56369 12.9061 7.47343 12.6515 6.60925 6.65086 7.80879 8.8807 12.7823 5.88134 9.35224 12.0662 9.60661 numMergedOcc 0
53 mol 100 unq 8 iso 1 dist 9.22737 4.95357 6.56369 6.60925 6.65086 7.80879 12.9061 7.47343 12.6515 8.8807 12.7823 5.88134 9.35224 9.60661 12.0662 numMergedOcc 0
54 mol 100 unq 9 iso 0 dist 9.22737 4.95357 6.56369 12.9061 7.47343 12.6515 5.05858 9.30209 6.39938 13.887 12.7823 5.88134 9.35224 12.0662 10.5853 numMergedOcc 0
55 mol 100 unq 9 iso 1 dist 9.22737 4.95357 6.56369 5.05858 9.30209 6.39938 12.9061 7.47343 12.6515 13.887 12.7823 5.88134 9.35224 10.5853 12.0662 numMergedOcc 0
56 mol 100 unq 9 iso 0 dist 9.22737 4.95357 6.56369 6.60925 6.65086 7.80879 5.05858 9.30209 6.39938 5.38414 12.7823 5.88134 9.35224 9.60661 10.5853 numMergedOcc 0
57 mol 100 unq 9 iso 1 dist 9.22737 4.95357 6.56369 5.05858 9.30209 6.39938 6.60925 6.65086 7.80879 5.38414 12.7823 5.88134 9.35224 10.5853 9.60661 numMergedOcc 0
58 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 11.2124 7.16148 5.49936 10.6875 13.7313 5.42328 5.87555 10.399 8.87437 numMergedOcc 0
59 mol 152 unq 0 iso 1 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 13.1435 8.56324 7.65448 10.6875 13.7313 5.42328 5.87555 8.87437 10.399 numMergedOcc 0
60 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 11.2124 7.16148 5.49936 10.6875 12.3711 6.4896 8.67331 14.1618 8.05741 numMergedOcc 0
61 mol 152 unq 1 iso 1 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 13.1435 8.56324 7.65448 10.6875 12.3711 6.4896 8.67331 8.05741 14.1618 numMergedOcc 0
62 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 13.1435 8.56324 10.6875 13.793 6.70283 5.49936 7.65448 13.7313 5.42328 8.87437 10.399 5.87555 numMergedOcc 0
63 mol 152 unq 2 iso 1 dist 8.41774 11.2124 7.16148 13.793 6.70283 5.49936 13.1435 8.56324 10.6875 7.65448 13.7313 5.42328 8.87437 5.87555 10.399 numMergedOcc 0
64 mol 152 unq 3 iso 0 dist 8.41774 11.2124 7.16148 13.1435 8.56324 10.6875 13.793 6.70283 5.49936 7.65448 12.3711 6.4896 8.05741 14.1618 8.67331 numMergedOcc 0
65 mol 152 unq 3 iso 1 dist 8.41774 11.2124 7.16148 13.793 6.70283 5.49936 13.1435 8.56324 10.6875 7.65448 12.3711 6.4896 8.05741 8.67331 14.1618 numMergedOcc 0
66 mol 224 unq 0 iso 0 dist 8.80858 4.93626 6.60589 4.46743 6.65832 6.77699 11.8641 9.16166 8.49799 11.328 10.8126 5.0744 6.57273 10.103 5.78342 numMergedOcc 0
67 mol 224 unq 0 iso 1 dist 8.80858 4.93626 6.60589 11.8641 9.16166 8.49799 4.46743 6.65832 6.77699 11.328 10.8126 5.0744 6.57273 5.78342 10.103 numMergedOcc 0
68 mol 224 unq 1 iso 0 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 4.93626 6.60589 8.49799 6.77699 10.8126 5.0744 5.78342 10.103 6.57273 numMergedOcc 0
69 mol 224 unq 1 iso 1 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 4.46743 6.65832 11.328 6.77699 10.8126 5.0744 5.78342 6.57273 10.103 numMergedOcc 0
70 mol 224 unq 2 iso 0 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 4.93626 6.60589 8.49799 6.77699 13.3427 6.91102 5.81334 10.9745 10.5128 numMergedOcc 0
71 mol 224 unq 2 iso 1 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 4.46743 6.65832 11.328 6.77699 13.3427 6.91102 5.81334 10.5128 10.9745 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 4.82695 8.34494 6.29886 11.7817 9.36357 7.82322 12.1694 10.8568 5.88703 9.45496 12.9605 6.7625 numMergedOcc 0
73 mol 234 unq 0 iso 1 dist 5.46736 4.93623 6.56247 11.7817 9.36357 7.82322 4.82695 8.34494 6.29886 12.1694 10.8568 5.88703 9.45496 6.7625 12.9605 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 5.46736 11.7817 9.36357 4.82695 8.34494 12.1694 4.93623 6.56247 7.82322 6.29886 10.8568 5.88703 6.7625 12.9605 9.45496 numMergedOcc 0
75 mol 234 unq 1 iso 1 dist 5.46736 11.7817 9.36357 4.93623 6.56247 7.82322 4.82695 8.34494 12.1694 6.29886 10.8568 5.88703 6.7625 9.45496 12.9605 numMergedOcc 0
76 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 13.7246 7.68742 5.79505 10.5269 6.27581 9.90963 11.3368 9.13551 7.28249 8.03456 6.84306 9.99038 numMergedOcc 0
77 mol 236 unq 0 iso 1 dist 7.87233 15.6279 9.81562 10.5269 6.27581 9.90963 13.7246 7.68742 5.79505 11.3368 9.13551 7.28249 8.03456 9.99038 6.84306 numMergedOcc 0
78 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 15.6279 9.81562 5.79505 10.5269 6.27581 11.3368 9.90963 9.13551 7.28249 6.84306 8.03456 9.99038 numMergedOcc 0
79 mol 236 unq 1 iso 1 dist 7.87233 13.7246 7.68742 10.5269 6.27581 11.3368 15.6279 9.81562 5.79505 9.90963 9.13551 7.28249 6.84306 9.99038 8.03456 numMergedOcc 0
80 mol 236 unq 2 iso 0 dist 7.87233 10.5269 6.27581 15.6279 9.81562 9.90963 13.7246 7.68742 11.3368 5.79505 9.13551 7.28249 9.99038 8.03456 6.84306 numMergedOcc 0
81 mol 236 unq 2 iso 1 dist 7.87233 10.5269 6.27581 13.7246 7.68742 11.3368 15.6279 9.81562 9.90963 5.79505 9.13551 7.28249 9.99038 6.84306 8.03456 numMergedOcc 0
82 mol 261 unq 0 iso 0 dist 5.00128 5.09097 8.43057 9.40373 8.02547 10.0727 4.86901 6.05727 4.63549 5.51688 9.77784 10.1239 7.73141 14.2688 10.0703 numMergedOcc 0
83 mol 261 unq 0 iso 1 dist 5.00128 5.09097 8.43057 4.86901 6.05727 4.63549 9.40373 8.02547 10.0727 5.51688 9.77784 10.1239 7.73141 10.0703 14.2688 numMergedOcc 0
84 mol 261 unq 1 iso 0 dist 6.58604 11.9784 8.43057 10.3517 8.02547 10.0727 9.47323 6.05727 4.63549 5.51688 15.9156 10.1239 7.73141 14.2688 10.0703 numMergedOcc 0
85 mol 261 unq 1 iso 1 dist 6.58604 11.9784 8.43057 9.47323 6.05727 4.63549 10.3517 8.02547 10.0727 5.51688 15.9156 10.1239 7.73141 10.0703 14.2688 numMergedOcc 0
86 mol 261 unq 2 iso 0 dist 7.30472 11.6843 8.43057 6.43209 8.02547 10.0727 7.78464 6.05727 4.63549 5.51688 16.5234 10.1239 7.73141 14.2688 10.0703 numMergedOcc 0
87 mol 261 unq 2 iso 1 dist 7.30472 11.6843 8.43057 7.78464 6.05727 4.63549 6.43209 8.02547 10.0727 5.51688 16.5234 10.1239 7.73141 10.0703 14.2688 numMergedOcc 0
