0 mol 18 unq 0 iso 0 dist 7.37356 10.5553 6.39243 6.82841 5.65084 4.95319 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.37356 12.9137 9.1715 6.82841 5.65084 6.19959 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 5.84326 6.3873 9.77018 11.3819 9.2898 12.6833 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 6.92837 4.18064 7.62791 5.29207 6.9362 6.98976 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.43143 8.83086 6.68311 12.6194 7.12321 8.89611 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 5.48831 5.50284 6.7212 10.6185 9.55118 11.1406 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 5.48831 5.50284 6.7212 4.89334 9.10345 8.28664 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.61812 6.6033 8.22596 17.6236 9.90751 12.9651 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.61812 6.6033 8.22596 17.5707 9.21662 13.0711 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.26438 15.3293 8.84523 7.53887 7.07971 10.5361 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.43255 13.8299 8.84523 7.83378 7.07971 10.5361 numMergedOcc 0
11 mol 109 unq 2 iso 0 dist 7.4389 10.1404 8.84523 10.405 7.07971 10.5361 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.84656 9.86688 7.27598 14.2595 9.33924 4.70162 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.84656 9.86688 7.27598 15.9796 7.93372 12.487 numMergedOcc 0
14 mol 139 unq 0 iso 0 dist 5.11962 3.873 8.32294 5.21231 5.80789 7.14578 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 5.21803 4.46061 8.46796 4.6728 7.37333 8.53742 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 5.21803 4.46061 8.46796 7.06734 7.45998 11.0013 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.09874 7.68256 6.58792 5.43915 8.59874 11.9701 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.73691 5.99045 9.75141 5.23399 8.22569 4.53609 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.57253 4.97762 9.95045 8.96601 6.71524 13.3209 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.65233 5.84498 6.8902 6.04707 8.29262 9.58347 numMergedOcc 0
