0 mol 11 unq 0 iso 0 dist 7.79488 7.29585 4.00815 11.9853 9.93889 11.1373 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.87616 6.29106 4.08268 6.5069 8.23032 11.1888 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.87616 7.05626 4.24301 6.5069 8.23032 7.90478 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.60396 9.9451 13.0593 10.6703 9.38335 18.8172 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 4.87397 8.47261 7.7205 5.98301 9.06974 14.1672 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.35101 8.80308 4.37642 4.7391 5.84625 10.2007 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.62621 4.86532 10.4949 5.75219 5.51406 8.66165 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.84466 6.70158 12.9548 16.0131 7.4518 20.0356 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.84466 6.70158 12.9548 11.7408 9.1687 17.6392 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.84466 7.29701 15.595 16.0131 7.4518 22.1507 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.84466 7.29701 15.595 11.7408 9.1687 16.0808 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.99121 9.19273 12.7351 10.6956 6.66022 17.3573 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.03774 8.9967 3.98821 4.20676 8.58172 9.86751 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 7.03774 8.9967 3.98821 6.9174 8.94585 11.7902 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.22456 9.68996 8.76048 8.11294 9.04845 12.7754 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 5.7232 9.68996 14.6925 8.11294 6.72323 12.7754 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 6.28769 9.29523 6.78733 8.52762 9.41073 11.7749 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.94464 5.87853 10.0344 6.15536 9.07527 7.22883 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.63713 5.87853 3.90972 10.5886 8.63119 10.515 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.92025 7.87572 5.55311 12.8555 8.37813 13.0171 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 5.92025 7.87572 5.55311 6.74257 9.25988 10.6733 numMergedOcc 0
