0 mol 25 unq 0 iso 0 dist 8.94828 4.54526 4.79873 9.23015 5.63212 7.44277 8.97282 11.037 9.7883 8.07318 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 5.39587 4.55481 7.01952 6.65242 6.24711 3.39994 4.58552 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.36524 6.65242 6.24711 5.39587 4.55481 4.58552 10.0272 7.18022 3.39994 7.01952 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 8.31276 6.67639 9.10524 7.96353 15.3018 8.14226 4.4987 10.6728 4.87973 5.78982 numMergedOcc 0
4 mol 134 unq 1 iso 0 dist 5.50687 4.4987 5.35237 7.96353 5.4761 5.78982 6.67639 9.69086 4.87973 8.14226 numMergedOcc 0
5 mol 134 unq 2 iso 0 dist 8.94541 8.17498 9.00918 9.05409 5.03507 8.14226 10.9758 7.99477 4.87973 5.78982 numMergedOcc 0
6 mol 134 unq 3 iso 0 dist 8.94541 10.9758 7.99477 9.05409 5.03507 5.78982 8.17498 9.00918 4.87973 8.14226 numMergedOcc 0
7 mol 134 unq 4 iso 0 dist 7.30919 6.67639 9.00918 7.96353 5.03507 8.14226 4.4987 7.99477 4.87973 5.78982 numMergedOcc 0
8 mol 134 unq 5 iso 0 dist 7.30919 4.4987 7.99477 7.96353 5.03507 5.78982 6.67639 9.00918 4.87973 8.14226 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 5.21803 4.6728 7.37333 9.71155 5.65603 9.43904 7.06734 7.45998 3.77838 7.01095 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 5.21803 7.06734 7.45998 9.71155 5.65603 7.01095 4.6728 7.37333 3.77838 9.43904 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.57514 12.7286 6.49765 16.7486 8.97813 5.03818 20.5128 14.2129 8.2248 6.40171 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 6.11505 12.0822 6.49765 15.0907 8.97813 5.03818 20.0792 14.2129 8.2248 6.40171 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 6.22964 10.9033 9.21377 9.36144 5.14674 9.95026 11.622 10.2649 3.96868 9.09594 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.93754 15.2642 8.14831 16.033 6.28241 6.46405 19.8938 11.8802 8.90802 9.3502 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 9.93754 15.2642 8.14831 16.033 6.28241 6.46405 23.8815 15.055 9.25318 9.34821 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 7.80612 11.091 7.10671 12.6512 5.71505 8.20943 16.7403 10.5519 6.27924 8.30024 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 6.65233 6.04707 8.29262 12.6602 13.2035 9.78237 9.37026 14.4964 8.39725 9.70101 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 6.65233 6.04707 8.29262 12.6602 13.2035 9.78237 9.72 13.4196 5.23295 9.95798 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.151 10.3171 9.57499 9.22453 11.2997 7.16209 10.6814 11.4389 3.39114 4.62936 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.53324 10.3171 5.46926 9.22453 4.40029 7.16209 10.6814 5.13913 3.39114 4.62936 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 8.53324 10.6814 5.13913 9.22453 4.40029 4.62936 10.3171 5.46926 3.39114 7.16209 numMergedOcc 0
22 mol 277 unq 3 iso 0 dist 7.23956 10.3171 8.9682 9.22453 3.97543 7.16209 10.6814 6.92711 3.39114 4.62936 numMergedOcc 0
23 mol 277 unq 4 iso 0 dist 7.23956 10.6814 6.92711 9.22453 3.97543 4.62936 10.3171 8.9682 3.39114 7.16209 numMergedOcc 0
24 mol 277 unq 5 iso 0 dist 8.33977 5.04761 9.57499 11.6275 11.2997 7.16209 8.42957 11.4389 3.39114 4.62936 numMergedOcc 0
25 mol 277 unq 6 iso 0 dist 8.66941 5.04761 5.46926 11.6275 4.40029 7.16209 8.42957 5.13913 3.39114 4.62936 numMergedOcc 0
26 mol 277 unq 7 iso 0 dist 8.66941 8.42957 5.13913 11.6275 4.40029 4.62936 5.04761 5.46926 3.39114 7.16209 numMergedOcc 0
