0 mol 14 unq 0 iso 0 dist 6.11408 9.54103 10.6867 5.80918 8.51178 10.6164 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 6.11408 9.54103 10.6867 8.39619 7.04966 16.6412 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 4.10339 7.23823 9.64155 5.19317 5.83354 11.262 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.44753 8.09271 7.3232 9.5091 7.09393 10.9145 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 8.44753 8.09271 7.3232 6.88345 3.87167 8.41025 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 5.85076 7.38545 6.15302 8.96878 8.39046 10.558 numMergedOcc 0
6 mol 86 unq 1 iso 0 dist 5.85076 7.38545 6.15302 7.68813 8.39947 13.6093 numMergedOcc 0
7 mol 86 unq 2 iso 0 dist 8.4254 8.8236 11.1987 8.47281 9.62655 15.3646 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.15982 7.35639 14.849 14.0132 9.6874 21.2876 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 7.80819 9.7504 11.2933 4.30864 7.25133 9.55276 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 7.14447 8.58873 8.91031 12.8539 8.15549 10.1299 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.89671 9.13917 5.25819 9.76471 7.96689 11.8747 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.89671 9.13917 5.25819 13.9686 4.83134 8.84494 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 5.86949 8.91834 11.7686 6.33907 9.71692 11.0882 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 5.84971 8.84061 11.6581 6.43607 9.73708 11.0743 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 9.0757 7.73442 15.8237 16.3549 9.45847 21.4046 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 9.0757 7.73442 15.8237 6.55123 7.895 13.2049 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 7.6174 9.82101 12.0828 8.00807 7.20862 15.9167 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 7.19924 6.55222 6.18958 15.6809 9.09835 11.2826 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 7.19924 6.55222 6.18958 12.3037 7.21466 8.39251 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 9.73281 9.61808 5.64395 14.9316 7.53352 11.3292 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 9.73281 9.61808 5.64395 13.1153 7.80793 13.0637 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 9.94532 7.68243 5.7487 5.75427 8.13696 8.28805 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 5.71066 7.86619 7.75603 9.16059 9.68846 15.3804 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 6.15396 9.73723 8.67143 5.46739 8.61456 14.4795 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 9.18964 9.73723 14.573 5.46739 8.41041 14.4795 numMergedOcc 0
26 mol 293 unq 0 iso 0 dist 8.27274 8.84911 4.88851 11.8152 8.42712 11.8618 numMergedOcc 0
