0 mol 17 unq 0 iso 0 dist 9.5937 9.16861 10.7882 11.2792 18.219 9.20038 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.34681 9.16861 9.91874 11.2792 11.6933 9.20038 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 7.65802 8.50293 7.14868 17.3042 16.5796 9.98549 numMergedOcc 0
3 mol 37 unq 1 iso 0 dist 7.65802 8.50293 7.14868 6.49243 11.9825 8.42264 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 8.25597 8.26819 8.88127 7.91223 12.0932 7.49283 numMergedOcc 0
5 mol 75 unq 1 iso 0 dist 4.76466 8.26819 6.78257 7.91223 7.93145 7.49283 numMergedOcc 0
6 mol 75 unq 2 iso 0 dist 8.67172 8.26819 4.7798 7.91223 10.3439 7.49283 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 8.68674 9.46619 6.83905 8.61334 4.82346 8.86001 numMergedOcc 0
8 mol 99 unq 1 iso 0 dist 8.68674 9.46619 6.83905 12.2155 8.07233 9.36749 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.80824 8.81198 5.13314 14.3396 13.0459 9.68866 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.67606 8.81198 6.8882 14.3396 16.5693 9.68866 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 5.25149 5.00266 4.51612 6.40358 10.8891 8.57161 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 8.6368 5.00266 8.8105 6.40358 11.0474 8.57161 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 6.23677 8.76325 4.76056 10.8164 12.1661 9.97425 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 6.23677 8.76325 4.76056 8.8161 8.96263 8.39753 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 7.31608 8.85101 4.76056 8.30109 12.1661 9.97425 numMergedOcc 0
16 mol 224 unq 3 iso 0 dist 7.31608 8.85101 4.76056 3.92881 8.96263 8.39753 numMergedOcc 0
17 mol 224 unq 4 iso 0 dist 7.96226 8.85101 4.1117 8.30109 10.826 9.97425 numMergedOcc 0
18 mol 224 unq 5 iso 0 dist 7.96226 8.85101 4.1117 3.92881 7.35677 8.39753 numMergedOcc 0
19 mol 228 unq 0 iso 0 dist 9.9685 7.95486 13.9493 14.736 21.5624 8.08612 numMergedOcc 0
20 mol 228 unq 1 iso 0 dist 9.9685 4.42593 7.98833 7.17017 8.22515 7.56863 numMergedOcc 0
21 mol 228 unq 2 iso 0 dist 9.9685 7.33564 5.16211 7.17017 8.22515 9.49938 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.01071 4.57548 11.2678 10.1043 18.9779 9.10967 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 9.01071 4.57548 11.2678 5.97305 11.454 7.83632 numMergedOcc 0
24 mol 239 unq 2 iso 0 dist 8.86185 4.57548 4.81796 10.1043 7.80073 9.10967 numMergedOcc 0
25 mol 239 unq 3 iso 0 dist 8.86185 4.57548 4.81796 5.97305 10.2683 7.83632 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.86267 9.44826 3.83813 14.9747 13.2154 9.418 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 9.86267 9.44826 3.83813 6.25578 10.7197 8.10823 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 5.37747 7.06971 4.60751 6.62729 5.34803 6.87981 numMergedOcc 0
