0 mol 55 unq 0 iso 0 dist 7.62977 7.6314 5.55161 11.1268 11.447 8.03504 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 7.62977 7.6314 5.55161 6.48194 5.62629 7.87739 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.91858 8.50028 4.63063 12.1332 7.02351 6.85356 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.91858 8.50028 4.63063 14.2641 8.66342 7.32265 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.5442 8.50028 4.68175 12.1332 10.4593 6.85356 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.5442 8.50028 4.68175 14.2641 7.21285 7.32265 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 6.21251 7.6104 12.8269 14.0631 19.4502 7.9309 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 9.34342 8.8236 5.9581 5.80063 10.2928 9.67574 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 9.28786 4.58684 6.19637 7.32447 11.702 7.35921 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.28786 6.90348 11.3571 5.83034 14.8374 9.78949 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 6.73874 7.08616 5.80857 3.74583 8.33989 7.10886 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 6.73874 7.83182 10.5488 3.74583 8.33989 7.83828 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.43908 5.97658 5.76822 5.13594 12.0251 9.20236 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 6.24473 5.57391 4.74328 5.77364 8.23566 4.82346 numMergedOcc 0
14 mol 99 unq 1 iso 0 dist 6.24473 5.57391 4.74328 10.4509 11.1962 8.07233 numMergedOcc 0
15 mol 110 unq 0 iso 0 dist 9.35378 8.38998 9.32628 10.9086 15.3687 9.00302 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 9.03707 7.35639 12.5525 6.15538 13.5548 6.67941 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 6.30762 8.98949 10.1774 5.7687 7.8034 6.45169 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.90904 6.53862 5.32245 7.587 6.89564 9.82274 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 6.90904 6.53862 5.32245 8.82521 11.7472 9.02712 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.91507 9.67331 10.6104 12.8386 18.1155 8.15734 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.91507 9.67331 10.6104 3.94348 9.21999 6.00896 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 8.4581 8.10747 8.74561 4.20431 10.3559 8.99714 numMergedOcc 0
23 mol 174 unq 0 iso 0 dist 7.77647 7.5144 6.02641 8.97301 12.6912 8.15275 numMergedOcc 0
24 mol 199 unq 0 iso 0 dist 6.6037 6.27016 7.32407 7.22468 13.16 8.255 numMergedOcc 0
25 mol 199 unq 1 iso 0 dist 7.91016 9.124 10.6184 7.873 13.926 8.255 numMergedOcc 0
26 mol 199 unq 2 iso 0 dist 7.21813 6.27016 10.6184 7.22468 13.926 8.255 numMergedOcc 0
27 mol 199 unq 3 iso 0 dist 9.74632 6.27016 10.9509 7.22468 15.7403 8.255 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 9.10711 8.96503 14.538 7.51653 15.8861 6.02053 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 9.10711 8.96503 14.538 10.6644 19.0465 7.41663 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 8.94211 8.96503 12.6987 7.51653 12.7166 6.02053 numMergedOcc 0
31 mol 205 unq 3 iso 0 dist 8.94211 8.96503 12.6987 10.6644 16.9905 7.41663 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 9.54076 6.61789 7.48216 6.0491 12.9027 8.50367 numMergedOcc 0
33 mol 210 unq 1 iso 0 dist 9.54076 6.61789 7.48216 11.257 16.0853 8.94889 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 8.77267 9.92349 13.0906 5.4891 9.56271 9.57625 numMergedOcc 0
35 mol 220 unq 1 iso 0 dist 8.77267 9.70779 4.56028 15.2237 14.3572 9.984 numMergedOcc 0
36 mol 220 unq 2 iso 0 dist 8.77267 9.70779 4.56028 5.4891 9.56271 8.08702 numMergedOcc 0
37 mol 241 unq 0 iso 0 dist 8.10617 8.73768 10.9944 9.23603 15.4635 8.90691 numMergedOcc 0
38 mol 255 unq 0 iso 0 dist 5.17191 8.01663 6.41518 5.28877 6.61193 7.16286 numMergedOcc 0
