0 mol 34 unq 0 iso 0 dist 9.12062 8.36524 15.5673 5.39587 13.3334 4.55481 10.0272 19.0823 7.18022 7.01952 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.12062 8.36524 15.5673 5.39587 13.3334 4.55481 6.65242 15.7464 6.24711 4.58552 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 9.12062 8.36524 15.5673 6.47252 8.73415 13.4762 10.0272 19.0823 7.18022 14.2738 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 9.12062 8.36524 15.5673 6.47252 8.73415 13.4762 6.65242 15.7464 6.24711 11.2418 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.68259 5.84326 4.61096 7.07124 10.6754 6.15355 11.3819 10.1246 9.2898 11.0852 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 9.073 5.9651 5.71797 6.09085 6.4113 7.50975 4.60844 13.1148 9.8703 10.0169 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.3907 8.47907 4.42285 6.91978 3.65582 6.9791 12.3287 9.011 6.00603 12.1654 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.49649 8.31276 15.5462 7.96353 11.0328 15.3018 6.67639 14.5055 9.10524 8.14226 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.49649 8.31276 15.5462 7.96353 11.0328 15.3018 4.72407 10.6236 6.42772 11.4619 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 8.49649 5.79157 6.36794 7.96353 11.0328 10.7951 4.72407 10.6236 9.1998 11.4619 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 8.49649 5.79157 6.36794 7.96353 11.0328 10.7951 7.97297 8.78303 8.69531 14.9378 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 8.49649 5.50687 5.73965 7.96353 11.0328 5.4761 4.4987 10.2498 5.35237 5.78982 numMergedOcc 0
12 mol 134 unq 5 iso 0 dist 8.49649 5.50687 5.73965 7.96353 11.0328 5.4761 4.72407 10.6236 8.70621 11.4619 numMergedOcc 0
13 mol 134 unq 6 iso 0 dist 8.49649 7.30919 11.0638 7.96353 11.0328 5.03507 6.67639 14.5055 9.00918 8.14226 numMergedOcc 0
14 mol 134 unq 7 iso 0 dist 8.49649 7.30919 11.0638 7.96353 11.0328 5.03507 4.4987 10.2498 7.99477 5.78982 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 9.71025 7.34207 12.461 8.59532 7.4198 13.5599 13.1744 20.1595 8.33439 19.1006 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.22466 9.52413 11.7795 8.9388 3.6848 15.4336 6.21482 6.52441 7.2793 9.98715 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 6.22466 9.52413 11.7795 8.9388 3.6848 15.4336 6.47581 8.16639 9.51091 11.0741 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 6.22466 9.52413 11.7795 8.9388 3.6848 15.4336 16.7739 18.1478 7.85184 21.7332 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 5.7709 4.78641 5.90604 6.27266 3.7157 5.41635 8.15463 12.7012 7.41662 11.6534 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 4.91191 6.48196 6.52848 7.69531 3.66075 5.65362 5.17683 7.1229 8.51625 9.34371 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 5.77107 6.44657 4.16039 7.12723 8.02755 10.8644 7.67857 5.09181 7.80862 10.4537 numMergedOcc 0
