0 mol 0 unq 0 iso 0 dist 9.19007 6.0225 6.94943 10.4406 5.96303 8.66548 6.23948 10.8762 8.73015 8.34244 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 13.2086 14.3325 9.06516 10.797 11.5353 5.29055 6.15893 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.44506 7.11305 6.38243 13.2086 14.3325 9.06516 10.9837 9.5053 4.76998 5.497 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 10.5905 5.36808 8.13051 5.85698 6.62229 5.45005 7.6481 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.64015 6.08003 7.17026 10.3148 7.70178 8.35444 14.1863 16.4621 14.2005 9.52272 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 10.417 13.6622 6.61111 7.06961 8.43352 3.94967 6.0129 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 9.63176 8.96522 6.55202 15.5019 16.0882 10.3622 7.26955 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 9.63176 8.96522 9.08536 15.5019 16.0882 14.9264 7.26955 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.46588 10.7549 8.66815 7.75534 5.83002 9.93613 6.0268 5.94233 5.50104 7.36017 numMergedOcc 0
9 mol 126 unq 1 iso 0 dist 9.46588 10.7549 8.66815 7.75534 5.83002 9.93613 8.01268 8.56219 7.02562 5.14819 numMergedOcc 0
10 mol 126 unq 2 iso 0 dist 9.46588 10.7549 8.66815 7.75534 5.83002 9.93613 10.2072 11.9246 11.1195 6.84245 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 20.301 13.6926 6.57379 19.6772 14.687 6.32315 6.21403 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 7.36779 10.092 6.99345 11.425 8.05714 6.44575 7.1797 9.30061 11.5269 8.55616 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 7.36779 4.46337 5.11043 11.425 8.05714 7.43401 7.1797 9.30061 6.93712 8.55616 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 8.20836 16.4114 8.48313 21.5049 13.6926 6.57379 22.3014 14.687 6.32315 6.21403 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 8.20836 12.8086 6.99345 11.2292 8.05714 6.44575 4.57832 9.30061 11.5269 8.55616 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 8.20836 7.41373 5.11043 11.2292 8.05714 7.43401 4.57832 9.30061 6.93712 8.55616 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.83476 15.0914 6.07389 15.2392 6.20673 7.25339 14.4429 7.02575 3.87082 8.97471 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 6.26839 11.8031 6.72182 12.1599 7.69247 7.10155 11.6598 5.68348 7.41775 8.52969 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.12346 9.09233 6.72182 13.8412 7.69247 7.10155 12.0887 5.68348 7.41775 8.52969 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 8.83356 4.66791 6.72182 5.48258 7.69247 7.10155 7.11753 5.68348 7.41775 8.52969 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 8.2654 7.73551 6.72182 10.3975 7.69247 7.10155 12.8755 5.68348 7.41775 8.52969 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 8.38865 4.1511 5.28771 8.17891 5.92529 7.79951 10.9607 12.135 12.8337 7.57454 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 5.4694 4.69247 5.28771 6.95902 5.92529 7.79951 9.72615 12.135 12.8337 7.57454 numMergedOcc 0
