0 mol 26 unq 0 iso 0 dist 8.84763 10.6287 7.3022 12.6272 4.03003 7.7868 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.02731 7.29999 6.04903 4.85282 7.46975 8.84323 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.86118 8.6915 9.0008 5.77675 4.31746 5.70192 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 5.86118 8.6915 9.0008 11.0748 7.58981 7.65646 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.33276 11.3473 7.09065 18.2386 12.9454 7.90328 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.37224 10.1316 9.07734 8.8763 4.1431 8.42487 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.27601 16.3901 9.83981 12.3013 5.21101 7.50886 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 7.27601 11.226 6.13559 12.3013 5.21101 7.25217 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 7.27601 7.41949 6.51395 6.8456 3.88006 6.96057 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 9.73325 13.5529 6.90634 18.9713 11.7935 6.01132 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 6.28491 10.8638 9.44952 15.991 11.2713 9.77771 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 7.3879 6.76195 8.41245 8.91036 7.6477 9.56248 numMergedOcc 0
12 mol 173 unq 1 iso 0 dist 9.70728 6.76195 6.64779 8.91036 5.04427 9.56248 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.89987 13.7713 9.06217 13.1737 12.0718 8.45395 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.89987 13.7713 9.06217 16.8702 13.7282 9.15368 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 9.89987 13.7713 9.06217 16.5625 10.6331 9.20477 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 9.89987 9.77651 7.13252 13.1737 12.0718 5.41368 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 9.89987 9.77651 7.13252 16.8702 13.7282 7.96182 numMergedOcc 0
18 mol 181 unq 5 iso 0 dist 9.89987 9.77651 7.13252 16.5625 10.6331 7.90237 numMergedOcc 0
19 mol 181 unq 6 iso 0 dist 9.91457 9.29611 7.05653 12.378 6.78739 6.17129 numMergedOcc 0
20 mol 181 unq 7 iso 0 dist 9.91457 9.29611 7.05653 14.5426 11.3693 5.83596 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.28099 9.25757 9.84492 5.39622 5.18732 9.08641 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.70651 14.7996 7.17337 8.15743 6.36084 9.61294 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.24253 5.32118 7.12785 5.1766 3.87679 7.77265 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 7.24253 11.4546 6.66959 5.1766 3.87679 9.65322 numMergedOcc 0
25 mol 243 unq 2 iso 0 dist 7.24253 11.4546 6.66959 12.2579 5.40441 6.9453 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.98231 11.4659 8.71497 16.0187 11.7116 9.53092 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 8.31165 13.9147 7.48235 13.2672 8.73566 8.56029 numMergedOcc 0
