0 mol 20 unq 0 iso 0 dist 7.16149 7.79943 9.01542 15.8767 9.0017 16.0772 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.44791 7.63139 4.82525 4.18595 6.52537 9.23222 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 6.4687 11.921 7.22811 5.62545 7.15043 8.62666 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 6.4687 11.921 7.22811 8.0518 5.70283 7.01382 numMergedOcc 0
4 mol 81 unq 2 iso 0 dist 6.67147 11.921 6.32371 5.62545 5.86142 8.62666 numMergedOcc 0
5 mol 81 unq 3 iso 0 dist 6.67147 11.921 6.32371 8.0518 7.16741 7.01382 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.99376 17.8066 9.24615 13.2837 5.16779 5.833 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 6.60331 6.79758 8.39825 7.15495 9.60854 12.0235 numMergedOcc 0
8 mol 110 unq 1 iso 0 dist 9.22311 8.2699 8.39825 14.6858 9.60854 12.0235 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 5.82487 3.90995 8.34228 11.6076 8.46167 12.55 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 5.82487 3.90995 8.34228 7.84907 6.13175 10.1562 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 5.82487 3.90995 8.34228 4.11536 4.34107 6.82721 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 6.01758 4.06625 5.99254 8.46965 5.14196 8.35616 numMergedOcc 0
13 mol 170 unq 1 iso 0 dist 6.01758 9.61494 7.85396 8.46965 5.14196 4.49569 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 7.48298 3.6688 8.80157 7.63636 9.84342 6.23428 numMergedOcc 0
15 mol 252 unq 1 iso 0 dist 7.48298 3.6688 8.80157 9.93981 8.63893 13.3681 numMergedOcc 0
16 mol 252 unq 2 iso 0 dist 8.9483 3.6688 8.49877 7.63636 9.85159 6.23428 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.98028 7.84502 5.65536 5.6683 8.27566 8.37797 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 5.8473 9.31785 5.65536 5.82277 8.27566 8.37797 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.00426 7.83541 5.06635 11.1348 7.8647 7.13646 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 8.76788 7.35437 5.22629 10.9871 7.89625 7.00662 numMergedOcc 0
21 mol 282 unq 1 iso 0 dist 8.76788 11.0422 6.16433 10.9871 7.89625 8.72511 numMergedOcc 0
