0 mol 17 unq 0 iso 0 dist 6.69539 8.35273 4.0384 7.95079 9.63364 7.324 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.69539 8.35273 4.0384 4.79124 6.76604 7.18716 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.57724 9.04157 12.303 9.99878 15.0927 9.7728 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.77613 7.32472 5.29955 8.69348 11.054 6.35997 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.9175 9.80453 3.42062 12.4087 8.38139 9.07283 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 6.34231 9.02073 3.30756 9.10704 7.61513 8.51839 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.75432 5.23167 3.70802 6.37499 8.19721 6.51901 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 6.75432 5.23167 3.70802 11.7209 11.6607 9.1926 numMergedOcc 0
8 mol 62 unq 2 iso 0 dist 8.45469 5.23167 3.66673 6.37499 6.84323 6.51901 numMergedOcc 0
9 mol 62 unq 3 iso 0 dist 8.45469 5.23167 3.66673 11.7209 7.24768 9.1926 numMergedOcc 0
10 mol 62 unq 4 iso 0 dist 7.63855 6.0827 4.29679 8.53924 8.19721 7.49792 numMergedOcc 0
11 mol 62 unq 5 iso 0 dist 7.63855 6.0827 4.29679 4.38006 6.84323 6.58981 numMergedOcc 0
12 mol 62 unq 6 iso 0 dist 5.48766 6.0827 8.07308 8.53924 11.6607 7.49792 numMergedOcc 0
13 mol 62 unq 7 iso 0 dist 5.48766 6.0827 8.07308 4.38006 7.24768 6.58981 numMergedOcc 0
14 mol 62 unq 8 iso 0 dist 9.63139 6.0827 10.3525 8.53924 11.6893 7.49792 numMergedOcc 0
15 mol 62 unq 9 iso 0 dist 9.63139 6.0827 10.3525 4.38006 8.51622 6.58981 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.24764 7.61514 3.81285 5.40682 7.52742 6.56288 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 6.24764 8.21116 6.17121 5.40682 7.52742 5.97559 numMergedOcc 0
18 mol 90 unq 0 iso 0 dist 8.23533 5.52904 4.66066 4.03085 7.38568 6.02596 numMergedOcc 0
19 mol 90 unq 1 iso 0 dist 8.23533 5.52904 4.66066 4.99029 8.6767 8.17454 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 7.04155 6.06155 3.89959 4.54745 9.00874 8.2702 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 9.16474 6.38269 9.30891 13.5639 15.0243 9.44 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 9.16474 7.11196 7.62615 13.5639 15.0243 8.47634 numMergedOcc 0
23 mol 176 unq 0 iso 0 dist 4.60553 5.23992 3.71345 9.95833 11.9375 9.81187 numMergedOcc 0
24 mol 176 unq 1 iso 0 dist 4.60553 5.23992 3.71345 3.97723 6.21825 4.67031 numMergedOcc 0
25 mol 176 unq 2 iso 0 dist 4.60553 5.23992 3.71345 6.09521 10.3093 9.49412 numMergedOcc 0
26 mol 176 unq 3 iso 0 dist 4.60553 7.91974 6.55919 9.95833 11.9375 9.71347 numMergedOcc 0
27 mol 176 unq 4 iso 0 dist 4.60553 7.91974 6.55919 3.97723 6.21825 6.20326 numMergedOcc 0
28 mol 176 unq 5 iso 0 dist 4.60553 9.1617 7.10617 9.95833 11.9375 8.77405 numMergedOcc 0
29 mol 176 unq 6 iso 0 dist 4.60553 9.1617 7.10617 3.97723 6.21825 6.8243 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 8.18538 8.34984 9.06758 5.52102 11.1441 8.58013 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 4.8627 8.69111 7.14333 4.25803 7.81282 7.73107 numMergedOcc 0
32 mol 278 unq 1 iso 0 dist 5.41035 8.69111 5.40345 4.25803 6.08019 7.73107 numMergedOcc 0
33 mol 281 unq 0 iso 0 dist 9.79394 8.78416 3.86368 4.88562 9.18565 9.05453 numMergedOcc 0
34 mol 281 unq 1 iso 0 dist 6.52115 7.82358 3.86368 5.91239 9.18565 9.05453 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 8.62338 7.96707 3.76412 13.5162 12.4395 9.03468 numMergedOcc 0
36 mol 287 unq 1 iso 0 dist 8.62338 7.96707 3.76412 5.22713 5.06731 6.05363 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 8.62338 7.96707 3.76412 13.5162 12.4395 9.03468 numMergedOcc 0
38 mol 288 unq 1 iso 0 dist 8.62338 7.96707 3.76412 5.22713 5.06731 6.05363 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.62338 7.96707 3.76412 13.5162 12.4395 9.03468 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 8.62338 7.96707 3.76412 5.22713 5.06731 6.05363 numMergedOcc 0
41 mol 294 unq 0 iso 0 dist 9.03579 9.14005 13.7631 14.7951 21.6987 8.81999 numMergedOcc 0
