0 mol 11 unq 0 iso 0 dist 5.87616 6.29106 4.08268 10.6337 11.3941 7.56871 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.87616 7.05626 4.24301 10.0711 11.7938 9.09091 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.16558 7.98453 4.31746 4.39526 5.70192 9.0008 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 5.16558 7.98453 4.31746 6.25641 9.65433 9.77887 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 9.62459 7.98453 7.58981 4.39526 7.65646 9.0008 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 9.62459 7.98453 7.58981 6.25641 14.4272 9.77887 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.7385 9.2958 5.91638 6.55474 10.6559 7.03226 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.99121 9.19273 12.7351 5.26498 12.7883 7.52142 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 6.30982 9.19273 9.25102 5.26498 10.1292 7.52142 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 6.12404 9.19273 4.08294 5.26498 5.58063 7.52142 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.59311 9.68996 6.00816 12.7763 12.1232 8.97945 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.22456 9.68996 8.76048 12.7763 13.3981 8.97945 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 5.7232 9.68996 14.6925 12.7763 15.0113 8.97945 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 9.38623 9.83216 12.7343 5.5932 13.9247 7.80054 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 7.76856 6.07708 5.04427 9.00192 9.56248 6.64779 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.92685 8.83185 8.35127 12.188 14.1766 7.05653 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 5.08796 9.0234 6.78739 4.56814 6.17129 7.05653 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 5.93515 9.0234 11.3693 4.56814 5.83596 7.05653 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.45384 7.77211 13.0423 4.32025 10.9382 8.97471 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 8.92585 6.62283 5.18265 9.28896 10.3764 8.90076 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.92585 6.62283 5.18265 4.40826 7.96197 6.87131 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.92585 6.62283 5.18265 6.04481 6.24435 8.09718 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 8.92585 8.60978 4.30687 9.28896 10.3764 6.62002 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 8.92585 8.60978 4.30687 4.40826 7.96197 9.69818 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 8.92585 8.60978 4.30687 6.04481 6.24435 6.73446 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 9.36652 8.73597 7.61243 15.5534 11.21 7.48269 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 7.54613 7.32198 7.61243 12.6295 11.21 7.48269 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 8.88961 8.83246 7.33654 4.54735 10.9642 7.36811 numMergedOcc 0
