0 mol 54 unq 0 iso 0 dist 9.11686 4.80731 7.40997 7.29251 5.85153 4.04498 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 7.77954 5.4212 7.66318 12.4047 9.87982 8.72788 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 6.0478 4.94708 7.66318 8.43533 9.87982 8.72788 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.17934 6.99469 8.77132 4.08651 7.40437 10.4187 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.91206 10.7405 8.39494 7.85784 8.59337 3.95066 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.91206 10.7405 8.39494 14.3054 7.66942 6.09246 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.67513 11.5055 8.39494 12.9922 8.59337 3.95066 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.67513 11.5055 8.39494 12.2368 7.66942 6.09246 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 4.66377 9.38487 7.95949 5.90148 6.97741 9.98038 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.55766 7.86188 9.74248 10.8131 9.81554 7.4182 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 5.74652 4.15778 8.66946 5.31338 9.09664 3.86635 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.08671 8.55838 8.71813 5.21343 9.67274 4.37072 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 7.24115 7.70151 6.64084 12.3168 8.06621 12.7673 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 9.05206 12.1997 5.6524 17.0843 8.83523 7.85817 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.3439 12.0722 7.14271 6.90422 5.37154 5.48263 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.3439 10.8016 7.4083 6.90422 5.37154 10.9213 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 9.3439 4.07704 8.24411 6.90422 5.37154 7.63905 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.48115 12.1042 9.59145 5.66551 7.1454 11.4515 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 7.86146 10.6575 8.81001 10.8186 8.2659 7.72809 numMergedOcc 0
19 mol 281 unq 1 iso 0 dist 6.67705 6.45309 8.81001 3.78163 8.2659 7.72809 numMergedOcc 0
