0 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 9.4798 11.6488 5.87283 10.1746 9.53901 14.2564 18.4166 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.06225 7.47794 5.31439 6.57826 7.43853 4.93067 13.42 7.71596 12.1702 11.3404 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.4046 9.72689 12.4767 6.98838 6.64721 5.90098 7.17073 6.41105 14.2584 9.0321 numMergedOcc 0
3 mol 181 unq 0 iso 0 dist 6.13872 9.58911 5.07895 8.45395 9.80135 10.5753 7.56512 8.03259 6.58792 9.30874 numMergedOcc 0
4 mol 181 unq 1 iso 0 dist 6.13872 9.58911 5.07895 5.41368 4.97806 5.88819 7.56512 8.03259 6.58792 5.54873 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 9.71223 8.96988 9.653 9.08641 14.6658 6.97485 13.4102 8.09373 16.2066 20.9003 numMergedOcc 0
6 mol 218 unq 0 iso 0 dist 6.2441 7.0843 9.92743 8.27907 11.0649 6.05563 6.7488 5.98076 9.89546 13.6078 numMergedOcc 0
7 mol 218 unq 1 iso 0 dist 6.2441 7.73315 12.0573 8.27907 11.0649 9.68444 6.7488 5.98076 9.66527 13.6078 numMergedOcc 0
8 mol 218 unq 2 iso 0 dist 6.2441 6.9398 8.31343 8.27907 11.0649 11.4148 6.7488 5.98076 4.851 13.6078 numMergedOcc 0
9 mol 219 unq 0 iso 0 dist 9.52151 4.87446 10.9246 7.15624 10.277 4.52622 6.28221 7.98941 6.8424 9.69976 numMergedOcc 0
10 mol 219 unq 1 iso 0 dist 9.52151 7.49235 13.5876 7.15624 10.277 5.13707 6.28221 7.98941 12.5982 9.69976 numMergedOcc 0
11 mol 243 unq 0 iso 0 dist 8.28364 6.86162 5.75876 7.77265 6.88405 5.70464 9.10714 9.60437 12.5455 14.096 numMergedOcc 0
12 mol 243 unq 1 iso 0 dist 8.28364 6.86162 5.75876 9.65322 12.946 7.83758 9.10714 9.60437 12.5455 18.3513 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 7.97113 9.12507 13.3027 8.46351 11.1732 5.32839 9.69102 9.2772 11.8092 13.6233 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 8.62431 4.05661 14.168 8.77987 7.24089 13.1605 9.89613 numMergedOcc 0
15 mol 274 unq 1 iso 0 dist 8.26851 6.55855 13.002 8.62431 4.05661 14.168 10.518 9.29005 11.1412 13.0653 numMergedOcc 0
16 mol 274 unq 2 iso 0 dist 8.26851 9.52894 17.6855 8.62431 4.05661 17.7203 8.77987 7.24089 16.9209 9.89613 numMergedOcc 0
17 mol 274 unq 3 iso 0 dist 8.26851 9.52894 17.6855 8.62431 4.05661 17.7203 10.518 9.29005 17.0072 13.0653 numMergedOcc 0
18 mol 274 unq 4 iso 0 dist 8.14634 6.55855 10.2307 8.62431 7.47324 14.168 10.518 8.16746 11.1412 13.0653 numMergedOcc 0
19 mol 274 unq 5 iso 0 dist 8.14634 9.52894 16.0912 8.62431 7.47324 17.7203 10.518 8.16746 17.0072 13.0653 numMergedOcc 0
