0 mol 29 unq 0 iso 0 dist 7.50258 5.94216 11.6887 5.82508 8.53135 8.17205 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.04019 7.03174 11.7029 6.90464 8.0346 13.4974 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.84944 6.65308 6.77798 11.3412 7.67459 12.1014 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 7.44913 9.93484 6.29544 9.57875 9.56188 12.0154 numMergedOcc 0
4 mol 104 unq 0 iso 0 dist 5.71279 9.77713 11.6889 5.78815 7.32917 13.8137 numMergedOcc 0
5 mol 104 unq 1 iso 0 dist 5.71279 9.77713 11.6889 10.2942 8.84844 17.6837 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.65031 6.83034 6.41178 12.1354 9.27341 13.2945 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 9.96635 7.41387 4.1393 17.5374 8.95432 12.2428 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 6.59407 9.98649 8.04855 8.59214 7.08934 9.7052 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 6.59407 9.98649 8.04855 7.46189 9.43135 14.1432 numMergedOcc 0
10 mol 170 unq 0 iso 0 dist 4.44987 7.4819 7.01544 11.8056 9.15159 14.7014 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 9.64195 8.69457 14.6028 8.91219 7.89026 15.674 numMergedOcc 0
12 mol 198 unq 1 iso 0 dist 7.86075 8.95625 4.13224 8.07672 7.62505 11.473 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 5.86839 9.49617 7.96379 6.38518 6.02053 13.516 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 5.86839 9.49617 7.96379 7.86936 7.41663 14.383 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.25149 6.57898 5.79012 8.17619 9.57625 13.9085 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 8.6368 6.57898 12.4207 7.36665 9.984 12.7796 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 8.6368 6.57898 12.4207 8.17619 8.08702 13.9085 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.81063 5.74939 7.41418 5.07348 7.53412 6.49931 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 4.64178 7.43688 4.14613 7.70076 8.1195 12.1808 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 9.16988 5.50716 4.14613 16.6703 8.1195 12.1808 numMergedOcc 0
