0 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 4.54526 4.79873 7.44277 8.97282 11.037 8.07318 9.7883 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.94828 9.23015 5.63212 16.0229 9.48085 10.156 8.97282 11.037 8.07318 12.1732 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.94828 9.23015 5.63212 16.0229 9.48085 10.156 4.54526 4.79873 7.44277 12.7147 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.36524 5.39587 4.55481 10.0272 7.18022 7.01952 6.65242 6.24711 4.58552 3.39994 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.36524 5.39587 4.55481 6.65242 6.24711 4.58552 10.0272 7.18022 7.01952 3.39994 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 5.84326 7.07124 6.15355 11.3819 9.2898 11.0852 12.3961 14.0014 9.47401 12.4691 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.9651 6.09085 7.50975 4.60844 9.8703 10.0169 10.6564 12.0495 5.7369 14.2473 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 12.3287 6.00603 12.1654 6.16219 12.6348 9.47049 15.1327 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.31276 7.96353 15.3018 6.67639 9.10524 8.14226 4.4987 10.6728 5.78982 4.87973 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 8.31276 7.96353 15.3018 4.72407 6.42772 11.4619 6.67639 9.10524 8.14226 7.62195 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 8.31276 7.96353 15.3018 4.72407 6.42772 11.4619 4.4987 10.6728 5.78982 6.05407 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 5.79157 7.96353 10.7951 4.72407 9.1998 11.4619 6.67639 12.1179 8.14226 7.62195 numMergedOcc 0
12 mol 134 unq 4 iso 0 dist 5.79157 7.96353 10.7951 4.72407 9.1998 11.4619 4.4987 9.71716 5.78982 6.05407 numMergedOcc 0
13 mol 134 unq 5 iso 0 dist 5.79157 7.96353 10.7951 7.97297 8.69531 14.9378 6.67639 12.1179 8.14226 13.208 numMergedOcc 0
14 mol 134 unq 6 iso 0 dist 5.79157 7.96353 10.7951 7.97297 8.69531 14.9378 4.4987 9.71716 5.78982 10.5379 numMergedOcc 0
15 mol 134 unq 7 iso 0 dist 5.50687 7.96353 5.4761 4.4987 5.35237 5.78982 6.67639 9.69086 8.14226 4.87973 numMergedOcc 0
16 mol 134 unq 8 iso 0 dist 5.50687 7.96353 5.4761 4.72407 8.70621 11.4619 6.67639 9.69086 8.14226 7.62195 numMergedOcc 0
17 mol 134 unq 9 iso 0 dist 5.50687 7.96353 5.4761 4.72407 8.70621 11.4619 4.4987 5.35237 5.78982 6.05407 numMergedOcc 0
18 mol 134 unq 10 iso 0 dist 7.30919 7.96353 5.03507 6.67639 9.00918 8.14226 4.4987 7.99477 5.78982 4.87973 numMergedOcc 0
19 mol 134 unq 11 iso 0 dist 7.30919 7.96353 5.03507 4.4987 7.99477 5.78982 6.67639 9.00918 8.14226 4.87973 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 5.21803 9.71155 5.65603 4.6728 7.37333 9.43904 7.06734 7.45998 7.01095 3.77838 numMergedOcc 0
21 mol 162 unq 1 iso 0 dist 5.21803 9.71155 5.65603 7.06734 7.45998 7.01095 4.6728 7.37333 9.43904 3.77838 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.52413 8.9388 15.4336 6.21482 7.2793 9.98715 4.68208 11.3216 8.5672 5.08963 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.52413 8.9388 15.4336 6.47581 9.51091 11.0741 4.68208 11.3216 8.5672 3.46782 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 9.52413 8.9388 15.4336 16.7739 7.85184 21.7332 4.68208 11.3216 8.5672 17.1538 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 4.78641 6.27266 5.41635 8.15463 7.41662 11.6534 4.7754 8.9507 8.22795 10.385 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 6.22964 9.36144 5.14674 10.9033 9.21377 9.95026 11.622 10.2649 9.09594 3.96868 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 7.151 9.22453 11.2997 10.3171 9.57499 7.16209 10.6814 11.4389 4.62936 3.39114 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.53324 9.22453 4.40029 10.3171 5.46926 7.16209 10.6814 5.13913 4.62936 3.39114 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 8.53324 9.22453 4.40029 10.6814 5.13913 4.62936 10.3171 5.46926 7.16209 3.39114 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 7.23956 9.22453 3.97543 8.60807 9.35539 13.0595 10.3171 8.9682 7.16209 16.9644 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 7.23956 9.22453 3.97543 8.60807 9.35539 13.0595 10.6814 6.92711 4.62936 15.8851 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 7.23956 9.22453 3.97543 10.3171 8.9682 7.16209 10.6814 6.92711 4.62936 3.39114 numMergedOcc 0
33 mol 277 unq 6 iso 0 dist 7.23956 9.22453 3.97543 10.6814 6.92711 4.62936 10.3171 8.9682 7.16209 3.39114 numMergedOcc 0
