0 mol 19 unq 0 iso 0 dist 6.16954 10.0039 6.50337 14.0749 10.2774 4.54938 15.6944 10.7864 7.67038 8.4674 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.16954 10.0039 6.50337 14.0749 10.2774 4.54938 10.2345 9.57968 5.03957 7.82074 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.16954 10.0039 6.50337 15.7849 10.3465 6.864 15.6944 10.7864 7.67038 4.51865 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.90701 5.39546 9.89546 10.0804 14.0634 8.80331 12.2906 14.792 8.13395 6.20293 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.32236 13.1056 9.07906 8.03754 6.09486 6.20293 14.0204 14.1869 8.13395 8.80331 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.32539 4.12189 8.41018 10.4776 15.2053 9.5589 5.62305 11.78 5.08001 6.83299 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.32539 4.12189 8.41018 10.4776 15.2053 9.5589 18.23 22.4204 16.3192 8.10861 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.25706 4.80738 7.77255 7.15352 4.32336 6.43294 9.28444 10.3081 10.6819 6.65595 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.25706 4.80738 7.77255 7.15352 4.32336 6.43294 11.0491 13.4885 11.3621 9.25011 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 8.25706 4.80738 7.77255 7.15352 4.32336 6.43294 6.28337 11.6961 5.51199 8.52121 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.8821 13.5661 5.62694 14.7149 10.169 8.70481 24.1769 17.3112 14.9342 9.96396 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.8821 13.5661 5.62694 14.7149 10.169 8.70481 20.8188 15.7282 13.3558 6.19304 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.80003 11.1406 5.62694 11.7558 10.169 8.70481 21.5289 17.3112 14.9342 9.96396 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.80003 11.1406 5.62694 11.7558 10.169 8.70481 17.8344 15.7282 13.3558 6.19304 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.1819 12.8633 8.82395 15.7709 7.85262 7.2658 13.5076 11.1905 5.53837 9.01083 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.32313 5.71475 7.98814 7.689 8.07597 7.17106 14.9329 15.4133 11.5403 9.60661 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.32313 5.71475 7.98814 7.689 8.07597 7.17106 10.3954 15.5327 8.87654 9.35224 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.17101 13.793 8.86966 13.7313 8.18329 5.87555 11.2124 5.7527 5.49936 8.87437 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.17101 13.793 8.86966 8.41774 5.97115 6.70283 13.1435 13.4958 7.65448 8.56324 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 9.17101 13.793 8.86966 8.41774 5.97115 6.70283 11.2124 5.7527 5.49936 7.16148 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 9.17101 13.793 8.86966 12.3711 4.36394 8.67331 11.2124 5.7527 5.49936 8.05741 numMergedOcc 0
21 mol 152 unq 4 iso 0 dist 9.17101 11.2124 5.7527 13.7313 8.18329 8.87437 13.793 8.86966 5.49936 5.87555 numMergedOcc 0
22 mol 152 unq 5 iso 0 dist 9.17101 11.2124 5.7527 8.41774 5.97115 7.16148 13.1435 13.4958 10.6875 8.56324 numMergedOcc 0
23 mol 152 unq 6 iso 0 dist 9.17101 11.2124 5.7527 8.41774 5.97115 7.16148 13.793 8.86966 5.49936 6.70283 numMergedOcc 0
24 mol 152 unq 7 iso 0 dist 9.17101 11.2124 5.7527 12.3711 4.36394 8.05741 13.793 8.86966 5.49936 8.67331 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 5.90008 9.17442 8.63044 13.125 10.375 5.59424 14.5839 14.2991 5.76246 7.00794 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 5.89339 4.77325 7.27415 6.26142 5.40456 6.18582 5.59015 10.3622 5.01979 7.57994 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 5.46946 7.89933 9.00426 16.3388 15.4874 9.14619 14.3747 14.9571 7.00201 8.45658 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 8.24264 7.89933 8.19348 16.3388 13.3429 9.14619 14.3747 12.6716 7.00201 8.45658 numMergedOcc 0
29 mol 261 unq 2 iso 0 dist 9.66703 6.79406 8.19348 13.5435 13.3429 9.14619 6.88989 12.6716 7.00201 8.45658 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 9.98068 6.49051 8.48407 10.0339 14.5632 6.24356 10.0099 15.0114 10.3202 9.361 numMergedOcc 0
31 mol 264 unq 1 iso 0 dist 6.41028 4.41644 8.48407 10.1878 14.5632 6.24356 12.2552 15.0114 10.3202 9.361 numMergedOcc 0
