0 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 7.64353 4.51865 5.80928 13.3505 7.67038 4.54938 6.864 16.7413 10.3915 7.82074 11.0366 5.03957 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.41045 13.3276 8.4674 7.64353 4.51865 5.80928 16.7413 10.3915 7.82074 11.0366 13.3505 7.67038 4.54938 6.864 5.03957 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 12.7352 5.06502 5.73819 10.5523 10.5813 6.45462 8.93915 14.7803 5.89973 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 10.5813 6.45462 8.93915 14.7803 12.7352 5.06502 5.73819 10.5523 5.89973 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 12.4311 10.1562 8.33063 16.4714 11.7612 5.67502 8.7531 11.1899 7.29309 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 11.7612 5.67502 8.7531 11.1899 12.4311 10.1562 8.33063 16.4714 7.29309 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 12.4311 10.1562 8.33063 17.3965 11.7612 5.67502 8.7531 12.4656 7.29309 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 11.7612 5.67502 8.7531 12.4656 12.4311 10.1562 8.33063 17.3965 7.29309 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 12.4311 10.1562 8.33063 13.1051 11.7612 5.67502 8.7531 11.6311 7.29309 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 11.7612 5.67502 8.7531 11.6311 12.4311 10.1562 8.33063 13.1051 7.29309 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 14.8693 15.7123 9.38498 10.2049 10.5158 12.016 9.75218 11.6369 13.7412 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 10.5158 12.016 9.75218 11.6369 14.8693 15.7123 9.38498 10.2049 13.7412 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 14.8693 15.7123 9.38498 20.257 10.5158 12.016 9.75218 10.1207 13.7412 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 10.5158 12.016 9.75218 10.1207 14.8693 15.7123 9.38498 20.257 13.7412 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 14.3639 5.42586 7.47541 11.3023 19.3849 10.1164 5.73196 15.309 6.87425 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 19.3849 10.1164 5.73196 15.309 14.3639 5.42586 7.47541 11.3023 6.87425 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 14.3639 5.42586 7.47541 7.97049 19.3849 10.1164 5.73196 11.2656 6.87425 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 19.3849 10.1164 5.73196 11.2656 14.3639 5.42586 7.47541 7.97049 6.87425 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 25.1398 16.6055 9.03572 16.9836 22.565 13.8105 8.83255 16.9811 6.59319 numMergedOcc 0
19 mol 95 unq 0 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 22.565 13.8105 8.83255 16.9811 25.1398 16.6055 9.03572 16.9836 6.59319 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 14.2807 5.33144 6.45675 10.1409 15.6365 10.1407 8.86688 14.9102 9.71151 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 15.6365 10.1407 8.86688 14.9102 14.2807 5.33144 6.45675 10.1409 9.71151 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 14.2807 5.33144 6.45675 11.8665 15.6365 10.1407 8.86688 13.6959 9.71151 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 15.6365 10.1407 8.86688 13.6959 14.2807 5.33144 6.45675 11.8665 9.71151 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 14.2807 5.33144 6.45675 13.912 15.6365 10.1407 8.86688 18.2109 9.71151 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 15.6365 10.1407 8.86688 18.2109 14.2807 5.33144 6.45675 13.912 9.71151 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 9.26923 10.8507 7.30858 13.8473 12.4685 8.02349 7.88312 6.11741 11.5723 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 12.4685 8.02349 7.88312 6.11741 9.26923 10.8507 7.30858 13.8473 11.5723 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 9.47554 9.67676 8.00618 5.34829 7.11802 8.18495 15.8406 11.965 6.29155 13.268 13.9771 7.79672 6.80239 12.6651 7.81217 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 9.47554 9.67676 8.00618 5.34829 7.11802 8.18495 13.9771 7.79672 6.80239 12.6651 15.8406 11.965 6.29155 13.268 7.81217 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 15.1513 8.80819 8.94367 11.9139 11.3169 5.00817 6.37586 9.5126 5.49782 numMergedOcc 0
31 mol 134 unq 0 iso 1 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 11.3169 5.00817 6.37586 9.5126 15.1513 8.80819 8.94367 11.9139 5.49782 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 6.48328 5.49782 6.37586 9.71307 11.0053 8.80819 6.49416 12.5075 5.00817 numMergedOcc 0
33 mol 134 unq 1 iso 1 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 11.0053 8.80819 6.49416 12.5075 6.48328 5.49782 6.37586 9.71307 5.00817 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 9.16358 5.49782 8.94367 9.86662 11.0053 5.00817 6.49416 12.5075 8.80819 numMergedOcc 0
35 mol 134 unq 2 iso 1 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 11.0053 5.00817 6.49416 12.5075 9.16358 5.49782 8.94367 9.86662 8.80819 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 13.7313 5.42328 5.87555 10.399 12.3711 6.4896 8.67331 14.1618 5.54906 numMergedOcc 0
37 mol 152 unq 0 iso 1 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 12.3711 6.4896 8.67331 14.1618 13.7313 5.42328 5.87555 10.399 5.54906 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 13.7313 5.42328 5.87555 8.87437 12.3711 6.4896 8.67331 8.05741 5.54906 numMergedOcc 0
39 mol 152 unq 1 iso 1 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 12.3711 6.4896 8.67331 8.05741 13.7313 5.42328 5.87555 8.87437 5.54906 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 13.1435 8.56324 10.6875 13.7313 5.42328 8.87437 10.399 12.3711 6.4896 8.05741 14.1618 5.54906 numMergedOcc 0
41 mol 152 unq 2 iso 1 dist 8.41774 11.2124 7.16148 13.1435 8.56324 10.6875 12.3711 6.4896 8.05741 14.1618 13.7313 5.42328 8.87437 10.399 5.54906 numMergedOcc 0
42 mol 152 unq 3 iso 0 dist 8.41774 11.2124 7.16148 13.793 6.70283 5.49936 13.7313 5.42328 8.87437 5.87555 12.3711 6.4896 8.05741 8.67331 5.54906 numMergedOcc 0
43 mol 152 unq 3 iso 1 dist 8.41774 11.2124 7.16148 13.793 6.70283 5.49936 12.3711 6.4896 8.05741 8.67331 13.7313 5.42328 8.87437 5.87555 5.54906 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 10.8126 5.0744 5.78342 10.103 13.3427 6.91102 5.81334 10.9745 5.60236 numMergedOcc 0
45 mol 224 unq 0 iso 1 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 13.3427 6.91102 5.81334 10.9745 10.8126 5.0744 5.78342 10.103 5.60236 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 10.8126 5.0744 5.78342 6.57273 13.3427 6.91102 5.81334 10.5128 5.60236 numMergedOcc 0
47 mol 224 unq 1 iso 1 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 13.3427 6.91102 5.81334 10.5128 10.8126 5.0744 5.78342 6.57273 5.60236 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 14.9014 6.99063 9.34734 10.4905 9.02226 5.22356 8.65997 10.8157 7.60506 numMergedOcc 0
49 mol 227 unq 0 iso 1 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 9.02226 5.22356 8.65997 10.8157 14.9014 6.99063 9.34734 10.4905 7.60506 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 14.9014 6.99063 9.34734 10.4905 16.5135 10.8658 7.56888 11.0431 7.43198 numMergedOcc 0
51 mol 227 unq 1 iso 1 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 16.5135 10.8658 7.56888 11.0431 14.9014 6.99063 9.34734 10.4905 7.43198 numMergedOcc 0
52 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 14.9014 6.99063 9.34734 10.4905 18.1901 12.4689 7.55216 10.0334 9.51866 numMergedOcc 0
53 mol 227 unq 2 iso 1 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 18.1901 12.4689 7.55216 10.0334 14.9014 6.99063 9.34734 10.4905 9.51866 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 9.02226 5.22356 8.65997 10.8157 16.5135 10.8658 7.56888 11.0431 9.70012 numMergedOcc 0
55 mol 227 unq 1 iso 1 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 16.5135 10.8658 7.56888 11.0431 9.02226 5.22356 8.65997 10.8157 9.70012 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 9.02226 5.22356 8.65997 10.8157 18.1901 12.4689 7.55216 10.0334 12.9332 numMergedOcc 0
57 mol 227 unq 2 iso 1 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 18.1901 12.4689 7.55216 10.0334 9.02226 5.22356 8.65997 10.8157 12.9332 numMergedOcc 0
58 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 16.5135 10.8658 7.56888 11.0431 18.1901 12.4689 7.55216 10.0334 4.48529 numMergedOcc 0
59 mol 227 unq 2 iso 1 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 18.1901 12.4689 7.55216 10.0334 16.5135 10.8658 7.56888 11.0431 4.48529 numMergedOcc 0
60 mol 236 unq 0 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 10.4172 5.79505 8.03456 9.81562 14.1598 11.3368 9.99038 6.27581 9.90963 numMergedOcc 0
61 mol 236 unq 0 iso 1 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 14.1598 11.3368 9.99038 6.27581 10.4172 5.79505 8.03456 9.81562 9.90963 numMergedOcc 0
62 mol 236 unq 1 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 10.4172 5.79505 8.03456 9.81562 13.7045 11.8739 9.78037 13.499 6.96005 numMergedOcc 0
63 mol 236 unq 1 iso 1 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 13.7045 11.8739 9.78037 13.499 10.4172 5.79505 8.03456 9.81562 6.96005 numMergedOcc 0
64 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 10.4172 5.79505 8.03456 9.81562 12.4813 14.7998 8.35971 11.2141 14.2337 numMergedOcc 0
65 mol 236 unq 2 iso 1 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 12.4813 14.7998 8.35971 11.2141 10.4172 5.79505 8.03456 9.81562 14.2337 numMergedOcc 0
66 mol 236 unq 1 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 14.1598 11.3368 9.99038 6.27581 13.7045 11.8739 9.78037 13.499 11.1557 numMergedOcc 0
67 mol 236 unq 1 iso 1 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 13.7045 11.8739 9.78037 13.499 14.1598 11.3368 9.99038 6.27581 11.1557 numMergedOcc 0
68 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 14.1598 11.3368 9.99038 6.27581 12.4813 14.7998 8.35971 11.2141 10.7497 numMergedOcc 0
69 mol 236 unq 2 iso 1 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 12.4813 14.7998 8.35971 11.2141 14.1598 11.3368 9.99038 6.27581 10.7497 numMergedOcc 0
70 mol 236 unq 2 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 13.7045 11.8739 9.78037 13.499 12.4813 14.7998 8.35971 11.2141 12.0369 numMergedOcc 0
71 mol 236 unq 2 iso 1 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 12.4813 14.7998 8.35971 11.2141 13.7045 11.8739 9.78037 13.499 12.0369 numMergedOcc 0
72 mol 236 unq 3 iso 0 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 10.4172 5.79505 9.81562 8.03456 14.1598 11.3368 6.27581 9.99038 9.90963 numMergedOcc 0
73 mol 236 unq 3 iso 1 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 14.1598 11.3368 6.27581 9.99038 10.4172 5.79505 9.81562 8.03456 9.90963 numMergedOcc 0
74 mol 236 unq 4 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 11.8908 9.90963 8.03456 9.81562 12.0498 11.3368 6.84306 7.68742 5.79505 numMergedOcc 0
75 mol 236 unq 4 iso 1 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 12.0498 11.3368 6.84306 7.68742 11.8908 9.90963 8.03456 9.81562 5.79505 numMergedOcc 0
76 mol 236 unq 5 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 11.8908 9.90963 8.03456 9.81562 15.4854 11.1557 9.78037 13.499 6.96005 numMergedOcc 0
77 mol 236 unq 5 iso 1 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 15.4854 11.1557 9.78037 13.499 11.8908 9.90963 8.03456 9.81562 6.96005 numMergedOcc 0
78 mol 236 unq 6 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 11.8908 9.90963 8.03456 9.81562 16.1665 10.7497 8.35971 11.2141 14.2337 numMergedOcc 0
79 mol 236 unq 6 iso 1 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 16.1665 10.7497 8.35971 11.2141 11.8908 9.90963 8.03456 9.81562 14.2337 numMergedOcc 0
80 mol 236 unq 5 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 12.0498 11.3368 6.84306 7.68742 15.4854 11.1557 9.78037 13.499 11.8739 numMergedOcc 0
81 mol 236 unq 5 iso 1 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 15.4854 11.1557 9.78037 13.499 12.0498 11.3368 6.84306 7.68742 11.8739 numMergedOcc 0
82 mol 236 unq 6 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 12.0498 11.3368 6.84306 7.68742 16.1665 10.7497 8.35971 11.2141 14.7998 numMergedOcc 0
83 mol 236 unq 6 iso 1 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 16.1665 10.7497 8.35971 11.2141 12.0498 11.3368 6.84306 7.68742 14.7998 numMergedOcc 0
84 mol 236 unq 6 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 15.4854 11.1557 9.78037 13.499 16.1665 10.7497 8.35971 11.2141 12.0369 numMergedOcc 0
85 mol 236 unq 6 iso 1 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 16.1665 10.7497 8.35971 11.2141 15.4854 11.1557 9.78037 13.499 12.0369 numMergedOcc 0
86 mol 236 unq 7 iso 0 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 11.8908 9.90963 9.81562 8.03456 12.0498 11.3368 7.68742 6.84306 5.79505 numMergedOcc 0
87 mol 236 unq 7 iso 1 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 12.0498 11.3368 7.68742 6.84306 11.8908 9.90963 9.81562 8.03456 5.79505 numMergedOcc 0
