0 mol 8 unq 0 iso 0 dist 6.68091 4.04843 8.68949 11.4765 9.95165 11.3943 15.118 15.9496 13.8823 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.68091 4.04843 8.68949 11.4765 9.95165 11.3943 16.4447 14.678 15.0895 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.68091 4.04843 8.68949 11.4765 9.95165 11.3943 20.5466 17.3707 19.7423 9.66439 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.68091 4.04843 8.68949 11.4765 9.95165 11.3943 17.0203 12.915 17.8323 7.3915 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 7.41772 5.2746 6.06732 12.2459 5.62472 12.0359 8.00177 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 7.41772 5.2746 9.54828 12.2459 5.62472 5.52992 8.00177 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 8.55004 7.24502 8.84151 11.8998 9.42071 10.9244 16.3476 10.1569 16.2856 7.76282 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.37819 12.1737 8.15664 4.98638 5.22996 8.98815 9.96037 6.09495 7.11695 6.49956 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 10.6499 8.84146 6.3404 16.7151 13.7656 13.0414 7.77116 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 10.2473 8.84146 6.3404 16.5181 13.7656 13.0414 7.77116 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 9.7589 7.73112 7.18976 9.18927 4.83761 6.62221 17.4489 8.39675 13.6369 8.97264 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 9.7589 7.73112 7.18976 9.18927 4.83761 6.62221 17.8032 10.3233 12.5031 8.80896 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 7.47852 5.9027 7.65121 7.01029 8.768 10.8204 10.689 6.89798 13.147 6.6561 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 6.22332 4.95393 7.65121 11.2993 8.768 10.8204 12.2756 6.89798 13.147 6.6561 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 5.75755 3.99138 7.39596 7.78418 9.3376 10.7216 8.6537 12.696 12.0016 8.92743 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 5.75755 3.99138 7.39596 7.78418 9.3376 10.7216 10.8071 11.6366 14.7928 8.08082 numMergedOcc 0
16 mol 229 unq 2 iso 0 dist 5.75755 3.99138 7.39596 7.78418 9.3376 10.7216 5.57702 6.44004 9.49008 5.77318 numMergedOcc 0
17 mol 229 unq 3 iso 0 dist 5.75755 3.99138 7.39596 7.78418 9.3376 10.7216 13.1488 10.442 15.6535 8.19603 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 10.7175 9.98606 16.41 12.9282 6.01492 14.8032 7.71657 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.28023 5.02003 9.34051 4.85537 9.4626 5.53273 8.49076 7.23876 8.88221 7.52109 numMergedOcc 0
