0 mol 0 unq 0 iso 0 dist 7.20999 4.36715 8.82102 5.56011 7.65806 4.87624 10.6433 6.80481 9.66691 10.7838 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 17.1139 9.90845 16.6906 8.86116 9.59761 8.45916 4.79736 9.03541 12.3058 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.20058 17.1139 9.90845 14.9411 8.38394 9.89489 8.45916 4.79736 9.03541 10.6772 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 5.2422 5.41061 6.87871 5.74753 9.24927 8.95909 10.9424 9.36867 9.45239 16.5571 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.62648 10.604 9.42766 4.6251 8.73993 14.0677 14.5947 8.84069 7.14258 16.2889 numMergedOcc 0
5 mol 210 unq 0 iso 0 dist 8.71409 17.7409 9.67457 12.9212 6.18308 5.82028 21.1792 13.1851 9.11574 10.8156 numMergedOcc 0
6 mol 220 unq 0 iso 0 dist 6.21273 9.98645 7.31105 5.1021 9.23153 14.6296 13.4306 9.9903 7.27248 16.568 numMergedOcc 0
7 mol 220 unq 1 iso 0 dist 6.21273 9.98645 7.31105 6.29601 8.24498 9.52692 13.4306 9.9903 7.27248 15.7019 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 9.73411 13.9782 9.33771 14.1073 8.95269 5.41021 14.141 5.72475 8.96784 10.7726 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 9.73411 13.9782 9.33771 9.81806 6.57273 4.91322 14.141 5.72475 8.96784 9.29862 numMergedOcc 0
10 mol 224 unq 2 iso 0 dist 9.73411 13.9782 9.33771 5.99647 5.78342 12.979 14.141 5.72475 8.96784 11.3625 numMergedOcc 0
11 mol 224 unq 3 iso 0 dist 7.07564 14.788 9.33771 11.8217 8.95269 5.41021 12.1763 5.72475 8.96784 10.7726 numMergedOcc 0
12 mol 224 unq 4 iso 0 dist 7.07564 14.788 9.33771 10.8463 6.57273 4.91322 12.1763 5.72475 8.96784 9.29862 numMergedOcc 0
13 mol 224 unq 5 iso 0 dist 7.07564 14.788 9.33771 5.44863 5.78342 12.979 12.1763 5.72475 8.96784 11.3625 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 8.8557 9.61847 9.84492 5.65373 8.22528 11.9226 8.3932 4.17276 8.70717 10.3243 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 6.06422 7.10888 6.83152 5.33697 6.57393 10.8336 14.1279 10.1427 8.28643 16.4383 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 7.64276 12.2489 5.24313 7.45873 7.31233 12.1448 5.41453 5.71717 8.28643 10.1172 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 8.61729 5.39741 6.37342 7.02319 6.16342 5.29737 11.7534 10.6736 7.69491 6.73665 numMergedOcc 0
