0 mol 10 unq 0 iso 0 dist 8.53436 9.87008 9.39886 3.26546 9.6581 10.4052 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 5.90391 5.52643 8.81519 4.98191 7.18002 9.51166 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 8.82771 9.18139 8.81519 3.76045 7.18002 9.51166 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 8.16059 4.22256 8.16183 5.83277 5.2568 3.7765 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.51608 5.11284 8.44819 7.19418 4.86696 5.61023 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.62536 10.5162 8.44819 11.534 4.86696 5.61023 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 6.41105 5.29991 5.9443 6.65892 9.27633 5.06277 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 6.41105 5.29991 5.9443 4.55647 7.59715 5.46288 numMergedOcc 0
8 mol 88 unq 2 iso 0 dist 6.41105 6.73292 9.16708 6.65892 9.27633 8.77344 numMergedOcc 0
9 mol 88 unq 3 iso 0 dist 6.41105 6.73292 9.16708 4.55647 7.59715 3.13774 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.6308 8.53951 8.48639 4.28396 5.28331 5.4118 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 9.1109 10.7386 9.85715 4.80201 8.83779 7.5541 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.51265 6.94742 4.33805 16.1482 9.80185 13.0092 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 9.81282 16.3902 8.41645 13.7825 8.58178 7.2705 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 9.81282 16.3902 8.41645 9.83347 4.77438 8.51377 numMergedOcc 0
15 mol 183 unq 2 iso 0 dist 9.81282 16.3902 8.41645 5.14341 5.73344 11.2827 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 5.13722 7.10924 9.16535 10.5517 8.98606 14.5445 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.14871 5.4269 6.5608 7.7423 6.11886 3.41783 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 8.8978 4.98225 9.432 8.41106 8.33309 4.64981 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 7.31087 7.64621 8.9327 7.54838 7.01673 3.13463 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 9.48468 16.1686 7.95874 6.6862 9.42253 14.312 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 6.04688 6.46947 9.1515 5.63037 7.80866 3.54511 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.42812 17.13 8.18813 3.60894 9.48076 17.1919 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 8.3398 5.15758 9.33418 5.07758 7.93643 9.88805 numMergedOcc 0
