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 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 7.64353 4.51865 5.80928 16.7413 10.3915 7.82074 11.0366 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 13.3276 8.4674 5.80928 13.3505 7.67038 6.864 4.54938 numMergedOcc 0
3 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 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 10.5813 6.45462 8.93915 14.7803 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 5.82428 8.84665 12.5396 18.0681 10.0246 6.85766 17.79 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.83775 13.0222 7.71095 10.1226 8.25513 8.19458 18.0681 10.0246 6.85766 14.0127 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 7.15352 9.28444 6.65595 11.0491 9.25011 4.73512 13.4319 6.54743 8.90863 10.0828 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 7.15352 9.28444 6.65595 4.80738 6.43294 10.6819 13.4319 6.54743 8.90863 11.5843 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 7.15352 9.28444 6.65595 6.28337 8.52121 8.93946 13.4319 6.54743 8.90863 12.4757 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 12.4311 10.1562 8.33063 16.4714 numMergedOcc 0
11 mol 60 unq 4 iso 0 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 11.7612 5.67502 8.7531 11.1899 numMergedOcc 0
12 mol 60 unq 5 iso 0 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 12.4311 10.1562 8.33063 17.3965 numMergedOcc 0
13 mol 60 unq 6 iso 0 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 11.7612 5.67502 8.7531 12.4656 numMergedOcc 0
14 mol 60 unq 7 iso 0 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 12.4311 10.1562 8.33063 13.1051 numMergedOcc 0
15 mol 60 unq 8 iso 0 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 11.7612 5.67502 8.7531 11.6311 numMergedOcc 0
16 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 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 10.5158 12.016 9.75218 11.6369 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 14.8693 15.7123 9.38498 20.257 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 10.5158 12.016 9.75218 10.1207 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 6.53819 7.95579 4.26409 14.3639 5.42586 7.97049 11.3023 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 15.3279 7.66905 6.9948 14.3639 5.42586 7.97049 7.47541 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 14.3639 5.42586 7.47541 11.3023 numMergedOcc 0
23 mol 85 unq 3 iso 0 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 19.3849 10.1164 5.73196 15.309 numMergedOcc 0
24 mol 85 unq 4 iso 0 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 14.3639 5.42586 7.47541 7.97049 numMergedOcc 0
25 mol 85 unq 5 iso 0 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 19.3849 10.1164 5.73196 11.2656 numMergedOcc 0
26 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 numMergedOcc 0
27 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 22.565 13.8105 8.83255 16.9811 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 5.71475 7.17106 11.5403 11.1764 5.88134 6.65086 10.5134 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 7.689 14.9329 9.60661 10.3954 9.35224 7.80879 11.1764 5.88134 6.65086 6.56369 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 7.689 10.3954 9.35224 14.9329 9.60661 7.80879 11.1764 5.88134 6.56369 6.65086 numMergedOcc 0
31 mol 100 unq 3 iso 0 dist 7.689 10.3954 9.35224 5.71475 7.17106 8.87654 11.1764 5.88134 6.56369 10.5134 numMergedOcc 0
32 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 14.2807 5.33144 6.45675 10.1409 numMergedOcc 0
33 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 15.6365 10.1407 8.86688 14.9102 numMergedOcc 0
34 mol 100 unq 6 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 14.2807 5.33144 6.45675 11.8665 numMergedOcc 0
35 mol 100 unq 7 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 15.6365 10.1407 8.86688 13.6959 numMergedOcc 0
36 mol 100 unq 8 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 14.2807 5.33144 6.45675 13.912 numMergedOcc 0
37 mol 100 unq 9 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 15.6365 10.1407 8.86688 18.2109 numMergedOcc 0
38 mol 100 unq 10 iso 0 dist 9.22737 6.60925 6.65086 12.9061 7.47343 8.8807 12.7823 5.88134 9.60661 12.0662 numMergedOcc 0
39 mol 100 unq 11 iso 0 dist 9.22737 6.60925 6.65086 4.95357 6.56369 7.80879 12.7823 5.88134 9.60661 9.35224 numMergedOcc 0
40 mol 100 unq 12 iso 0 dist 9.22737 6.60925 6.65086 5.05858 9.30209 5.38414 12.7823 5.88134 9.60661 10.5853 numMergedOcc 0
41 mol 100 unq 13 iso 0 dist 9.22737 4.95357 6.56369 12.9061 7.47343 12.6515 12.7823 5.88134 9.35224 12.0662 numMergedOcc 0
42 mol 100 unq 14 iso 0 dist 9.22737 4.95357 6.56369 6.60925 6.65086 7.80879 12.7823 5.88134 9.35224 9.60661 numMergedOcc 0
43 mol 100 unq 15 iso 0 dist 9.22737 4.95357 6.56369 5.05858 9.30209 6.39938 12.7823 5.88134 9.35224 10.5853 numMergedOcc 0
44 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 4.75197 5.83991 7.69052 12.4685 8.02349 6.11741 7.88312 numMergedOcc 0
45 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 9.26923 10.8507 7.30858 13.8473 numMergedOcc 0
46 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 12.4685 8.02349 7.88312 6.11741 numMergedOcc 0
47 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 numMergedOcc 0
48 mol 133 unq 1 iso 0 dist 9.47554 9.67676 8.00618 5.34829 7.11802 8.18495 13.9771 7.79672 6.80239 12.6651 numMergedOcc 0
49 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 6.65283 6.49416 5.00526 13.8807 5.79898 9.89303 9.93925 numMergedOcc 0
50 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 15.1513 8.80819 8.94367 11.9139 numMergedOcc 0
51 mol 134 unq 2 iso 0 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 11.3169 5.00817 6.37586 9.5126 numMergedOcc 0
52 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 6.48328 5.49782 6.37586 9.71307 numMergedOcc 0
53 mol 134 unq 4 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 11.0053 8.80819 6.49416 12.5075 numMergedOcc 0
54 mol 134 unq 5 iso 0 dist 9.16358 9.66197 9.86662 10.0911 8.94367 6.81259 6.48328 5.49782 9.71307 6.37586 numMergedOcc 0
55 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 9.16358 5.49782 8.94367 9.86662 numMergedOcc 0
56 mol 134 unq 7 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 11.0053 5.00817 6.49416 12.5075 numMergedOcc 0
57 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 10.0911 6.37586 6.81259 9.16358 5.49782 9.86662 8.94367 numMergedOcc 0
58 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 numMergedOcc 0
59 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 12.3711 6.4896 8.67331 14.1618 numMergedOcc 0
60 mol 152 unq 2 iso 0 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 13.7313 5.42328 5.87555 8.87437 numMergedOcc 0
61 mol 152 unq 3 iso 0 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 12.3711 6.4896 8.67331 8.05741 numMergedOcc 0
62 mol 152 unq 4 iso 0 dist 8.41774 11.2124 7.16148 13.1435 8.56324 10.6875 13.7313 5.42328 8.87437 10.399 numMergedOcc 0
63 mol 152 unq 5 iso 0 dist 8.41774 11.2124 7.16148 13.1435 8.56324 10.6875 12.3711 6.4896 8.05741 14.1618 numMergedOcc 0
64 mol 152 unq 6 iso 0 dist 8.41774 11.2124 7.16148 13.793 6.70283 5.49936 13.7313 5.42328 8.87437 5.87555 numMergedOcc 0
65 mol 152 unq 7 iso 0 dist 8.41774 11.2124 7.16148 13.793 6.70283 5.49936 12.3711 6.4896 8.05741 8.67331 numMergedOcc 0
66 mol 206 unq 0 iso 0 dist 8.95375 7.72969 9.774 6.84704 8.02137 10.4 8.11407 5.63422 7.7366 11.1804 numMergedOcc 0
67 mol 206 unq 1 iso 0 dist 9.29007 9.9578 9.774 12.4178 8.02137 10.4 11.3921 5.63422 7.7366 11.1804 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 8.80858 4.93626 6.60589 4.46743 6.65832 6.77699 10.8126 5.0744 6.57273 10.103 numMergedOcc 0
69 mol 224 unq 1 iso 0 dist 8.80858 4.93626 6.60589 11.8641 9.16166 8.49799 10.8126 5.0744 6.57273 5.78342 numMergedOcc 0
70 mol 224 unq 2 iso 0 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 10.8126 5.0744 5.78342 10.103 numMergedOcc 0
71 mol 224 unq 3 iso 0 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 13.3427 6.91102 5.81334 10.9745 numMergedOcc 0
72 mol 224 unq 4 iso 0 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 10.8126 5.0744 5.78342 6.57273 numMergedOcc 0
73 mol 224 unq 5 iso 0 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 13.3427 6.91102 5.81334 10.5128 numMergedOcc 0
74 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 numMergedOcc 0
75 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 numMergedOcc 0
76 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 numMergedOcc 0
77 mol 227 unq 3 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 18.1901 12.4689 7.55216 10.0334 numMergedOcc 0
78 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 10.6678 9.06952 6.84129 10.7513 5.57838 8.22528 13.2905 numMergedOcc 0
79 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 4.82695 8.34494 6.29886 10.8568 5.88703 9.45496 12.9605 numMergedOcc 0
80 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 11.7817 9.36357 7.82322 10.8568 5.88703 9.45496 6.7625 numMergedOcc 0
81 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 4.82695 8.34494 12.1694 10.8568 5.88703 6.7625 12.9605 numMergedOcc 0
82 mol 234 unq 3 iso 0 dist 5.46736 11.7817 9.36357 4.93623 6.56247 7.82322 10.8568 5.88703 6.7625 9.45496 numMergedOcc 0
83 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 numMergedOcc 0
84 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 numMergedOcc 0
85 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 numMergedOcc 0
86 mol 236 unq 3 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 12.4813 14.7998 8.35971 11.2141 numMergedOcc 0
87 mol 236 unq 4 iso 0 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 10.4172 5.79505 9.81562 8.03456 numMergedOcc 0
88 mol 236 unq 5 iso 0 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 14.1598 11.3368 6.27581 9.99038 numMergedOcc 0
89 mol 236 unq 6 iso 0 dist 7.87233 15.6279 9.81562 13.7246 7.68742 5.79505 9.13551 7.28249 8.03456 6.84306 numMergedOcc 0
90 mol 236 unq 7 iso 0 dist 7.87233 15.6279 9.81562 10.5269 6.27581 9.90963 9.13551 7.28249 8.03456 9.99038 numMergedOcc 0
91 mol 236 unq 8 iso 0 dist 7.87233 13.7246 7.68742 15.6279 9.81562 5.79505 9.13551 7.28249 6.84306 8.03456 numMergedOcc 0
92 mol 236 unq 9 iso 0 dist 7.87233 13.7246 7.68742 10.5269 6.27581 11.3368 9.13551 7.28249 6.84306 9.99038 numMergedOcc 0
93 mol 236 unq 10 iso 0 dist 7.87233 10.5269 6.27581 15.6279 9.81562 9.90963 9.13551 7.28249 9.99038 8.03456 numMergedOcc 0
94 mol 236 unq 11 iso 0 dist 7.87233 10.5269 6.27581 13.7246 7.68742 11.3368 9.13551 7.28249 9.99038 6.84306 numMergedOcc 0
95 mol 236 unq 12 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 11.8908 9.90963 8.03456 9.81562 numMergedOcc 0
96 mol 236 unq 13 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 12.0498 11.3368 6.84306 7.68742 numMergedOcc 0
97 mol 236 unq 14 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 15.4854 11.1557 9.78037 13.499 numMergedOcc 0
98 mol 236 unq 15 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 16.1665 10.7497 8.35971 11.2141 numMergedOcc 0
99 mol 236 unq 16 iso 0 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 11.8908 9.90963 9.81562 8.03456 numMergedOcc 0
100 mol 236 unq 17 iso 0 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 12.0498 11.3368 7.68742 6.84306 numMergedOcc 0
101 mol 253 unq 0 iso 0 dist 8.82388 9.65021 8.31064 5.32928 7.32223 7.25988 14.3398 8.02948 6.73034 11.6434 numMergedOcc 0
102 mol 261 unq 0 iso 0 dist 5.00128 5.09097 8.43057 9.40373 8.02547 10.0727 9.77784 10.1239 7.73141 14.2688 numMergedOcc 0
103 mol 261 unq 1 iso 0 dist 5.00128 5.09097 8.43057 4.86901 6.05727 4.63549 9.77784 10.1239 7.73141 10.0703 numMergedOcc 0
104 mol 261 unq 2 iso 0 dist 6.58604 11.9784 8.43057 10.3517 8.02547 10.0727 15.9156 10.1239 7.73141 14.2688 numMergedOcc 0
105 mol 261 unq 3 iso 0 dist 6.58604 11.9784 8.43057 9.47323 6.05727 4.63549 15.9156 10.1239 7.73141 10.0703 numMergedOcc 0
106 mol 261 unq 4 iso 0 dist 7.30472 11.6843 8.43057 6.43209 8.02547 10.0727 16.5234 10.1239 7.73141 14.2688 numMergedOcc 0
107 mol 261 unq 5 iso 0 dist 7.30472 11.6843 8.43057 7.78464 6.05727 4.63549 16.5234 10.1239 7.73141 10.0703 numMergedOcc 0
