0 mol 18 unq 0 iso 0 dist 7.826 5.03451 3.17053 8.93027 7.60512 7.94376 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 4.61355 9.942 9.44812 6.92761 5.43693 14.4898 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 4.61355 5.92771 6.08836 6.92761 5.43693 5.53419 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.61587 6.72584 3.31218 11.4378 9.69913 8.99451 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 6.61587 7.25594 5.74818 11.4378 9.69913 14.5056 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.93938 7.87345 12.3755 13.3967 8.06134 18.8294 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 6.93938 7.87345 12.3755 7.77418 5.36587 12.8304 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 6.93938 9.01196 5.70307 13.3967 8.06134 12.7041 numMergedOcc 0
8 mol 112 unq 3 iso 0 dist 6.93938 9.01196 5.70307 7.77418 5.36587 9.97509 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.09831 7.84085 5.87276 4.98582 9.94998 12.5507 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 9.38297 8.87575 15.8939 11.1668 8.86449 18.9814 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 8.83844 8.25547 7.20382 5.93508 7.47964 10.2367 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 8.45614 8.43599 12.3855 7.00671 8.62102 15.1576 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 8.32647 6.03505 11.1533 9.41221 7.81263 13.0767 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 8.32647 6.30144 3.74437 9.41221 7.81263 7.02762 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 9.42723 6.49746 3.70259 16.6388 8.63279 11.6081 numMergedOcc 0
16 mol 198 unq 1 iso 0 dist 9.42723 5.8917 5.13258 16.6388 8.63279 13.6918 numMergedOcc 0
17 mol 198 unq 2 iso 0 dist 7.70823 9.70373 3.70259 8.95775 8.63279 11.6081 numMergedOcc 0
18 mol 198 unq 3 iso 0 dist 8.16611 9.76877 3.70259 5.04011 8.63279 11.6081 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 8.70011 7.81831 3.64285 10.2269 5.44533 8.41013 numMergedOcc 0
