0 mol 41 unq 0 iso 0 dist 8.6783 6.74265 10.8697 8.03881 9.88933 7.22319 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.60396 5.5483 5.41731 4.44406 6.90686 6.33492 numMergedOcc 0
2 mol 124 unq 0 iso 0 dist 8.48985 8.40121 9.90566 5.03702 9.5589 5.41383 numMergedOcc 0
3 mol 124 unq 1 iso 0 dist 8.48985 9.09998 5.84105 5.03702 9.5589 9.55051 numMergedOcc 0
4 mol 132 unq 0 iso 0 dist 8.94096 5.52837 7.71763 8.96089 8.89288 4.6147 numMergedOcc 0
5 mol 132 unq 1 iso 0 dist 7.64207 5.52837 7.53392 8.96089 7.77683 4.6147 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.30966 4.95077 5.3105 4.58432 6.73318 6.07604 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 7.6166 9.42821 9.15311 6.52416 3.91877 9.61066 numMergedOcc 0
8 mol 218 unq 0 iso 0 dist 7.38022 5.51354 5.55907 6.59468 4.93279 8.50846 numMergedOcc 0
9 mol 266 unq 0 iso 0 dist 9.8678 9.4961 17.1354 9.42301 11.1651 10.3216 numMergedOcc 0
10 mol 266 unq 1 iso 0 dist 9.8678 9.4961 17.1354 8.89002 18.7285 8.85331 numMergedOcc 0
11 mol 266 unq 2 iso 0 dist 9.8678 8.08479 17.2672 9.42301 11.1651 11.668 numMergedOcc 0
12 mol 266 unq 3 iso 0 dist 9.8678 8.08479 17.2672 8.89002 18.7285 5.62596 numMergedOcc 0
13 mol 266 unq 4 iso 0 dist 8.00278 9.4961 14.487 9.42301 11.5675 10.3216 numMergedOcc 0
14 mol 266 unq 5 iso 0 dist 8.00278 9.4961 14.487 8.89002 16.1506 8.85331 numMergedOcc 0
15 mol 266 unq 6 iso 0 dist 8.00278 8.08479 15.9267 9.42301 11.5675 11.668 numMergedOcc 0
16 mol 266 unq 7 iso 0 dist 8.00278 8.08479 15.9267 8.89002 16.1506 5.62596 numMergedOcc 0
17 mol 266 unq 8 iso 0 dist 9.10275 7.07099 10.5702 8.23087 11.1651 13.6937 numMergedOcc 0
18 mol 266 unq 9 iso 0 dist 9.10275 8.83873 7.16658 8.23087 11.1651 5.94859 numMergedOcc 0
19 mol 266 unq 10 iso 0 dist 9.10275 8.3978 17.1354 8.23087 11.1651 10.3216 numMergedOcc 0
20 mol 266 unq 11 iso 0 dist 6.13722 7.07099 6.1113 8.23087 11.5675 13.6937 numMergedOcc 0
21 mol 266 unq 12 iso 0 dist 6.13722 8.83873 8.64084 8.23087 11.5675 5.94859 numMergedOcc 0
22 mol 266 unq 13 iso 0 dist 6.13722 8.3978 14.487 8.23087 11.5675 10.3216 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 8.78758 9.79758 5.1526 9.56273 9.88576 12.2986 numMergedOcc 0
24 mol 278 unq 1 iso 0 dist 8.78758 9.79758 5.1526 8.93294 5.72067 5.11421 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 8.53542 7.69328 8.91353 8.90491 6.75173 12.7862 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 8.53542 8.93979 6.05412 8.90491 6.75173 6.83389 numMergedOcc 0
