0 mol 38 unq 0 iso 0 dist 5.86972 7.17698 5.31226 7.46414 9.23576 10.7047 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 5.86972 4.74069 4.57886 7.46414 9.23576 7.26639 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.25984 9.04117 5.5061 6.92677 9.81698 13.5965 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.67341 9.03339 4.33522 5.3967 6.7225 8.9498 numMergedOcc 0
4 mol 126 unq 0 iso 0 dist 7.25133 9.93116 13.7243 4.57807 7.11388 14.4059 numMergedOcc 0
5 mol 126 unq 1 iso 0 dist 7.25133 9.93116 13.7243 13.2652 8.83131 21.9949 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.07421 9.31543 5.04019 4.80675 6.29026 6.69691 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 7.07421 8.85652 4.79473 4.80675 6.29026 5.51197 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 8.15549 8.62632 12.032 10.469 7.70349 17.3415 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.50126 5.9959 5.30466 15.9524 8.84018 11.4316 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 5.59682 9.17216 9.0696 6.62991 8.89982 6.59889 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 5.59682 9.44172 9.83062 6.62991 8.89982 8.9192 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 7.71277 9.40483 9.0696 7.17016 8.89982 6.59889 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.47689 8.39573 5.71744 4.681 6.43406 5.05973 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 8.94671 8.8774 4.82437 4.85077 7.86625 9.56028 numMergedOcc 0
15 mol 199 unq 0 iso 0 dist 9.88917 9.57414 4.95497 11.2655 8.68505 12.7627 numMergedOcc 0
16 mol 199 unq 1 iso 0 dist 9.56785 9.57414 8.54449 5.60906 9.60407 13.2422 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 7.57564 7.27963 6.50937 4.21803 7.82697 9.67663 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 7.47122 8.57781 3.56689 15.4433 9.75313 8.08349 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 6.6537 5.36326 3.56689 4.55824 9.75313 8.08349 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 9.08719 5.36326 11.4272 4.55824 6.08709 8.08349 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 7.20862 8.31266 13.7904 10.5706 9.5723 18.831 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 6.23346 9.3974 12.4865 9.6645 9.54235 18.9414 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 9.13126 9.67162 4.8226 5.52669 9.10613 8.23087 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 5.57184 6.5311 5.45774 9.76195 6.83152 12.269 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 5.57184 6.5311 5.45774 7.01206 5.24313 9.3718 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 5.57184 9.67281 12.4194 9.76195 6.83152 13.9551 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 5.57184 9.67281 12.4194 7.01206 5.24313 9.12776 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.70189 9.6327 8.08023 9.78068 8.58088 15.8864 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 4.55368 8.40328 7.06301 6.18571 7.93997 5.85442 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 4.55368 8.2518 7.80863 6.18571 7.93997 6.95511 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 7.53773 9.83098 14.4652 4.69801 9.53225 13.9896 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 8.60951 8.82415 9.77424 4.59796 8.10742 12.3347 numMergedOcc 0
