0 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 9.94237 6.62229 10.4524 15.9015 10.2049 6.86465 14.62 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 9.94237 6.62229 10.4524 12.9181 9.95364 6.62496 14.6584 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 7.88172 12.965 8.80614 9.94237 6.62229 10.4524 10.671 5.49591 6.35756 10.9864 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 4.73318 6.48232 8.26458 10.1845 5.11416 9.96396 7.04044 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 4.73318 6.48232 8.26458 10.8928 6.56633 6.19304 8.73253 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.91141 9.19589 9.24757 4.73318 6.48232 8.26458 12.1403 15.3808 8.70481 10.3244 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 13.3069 8.70863 6.37974 10.7029 9.29301 7.97049 7.1589 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 13.3069 8.70863 6.37974 14.7997 13.5116 7.47541 11.2808 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 6.40944 7.12072 5.75886 12.1173 10.4376 6.18601 9.66471 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 7.02655 9.98397 8.11992 15.594 6.30169 9.61051 15.6061 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 9.86237 12.2044 6.28565 7.02655 9.98397 8.11992 11.5151 4.55551 5.83384 10.0483 numMergedOcc 0
11 mol 129 unq 2 iso 0 dist 9.86237 12.2044 6.28565 10.2048 9.94578 6.67948 15.594 6.30169 9.61051 15.3413 numMergedOcc 0
12 mol 129 unq 3 iso 0 dist 9.86237 12.2044 6.28565 10.2048 9.94578 6.67948 11.5151 4.55551 5.83384 8.03372 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 5.96506 5.15286 7.96646 9.65804 9.13191 14.206 10.2741 6.73735 9.28393 13.2004 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.05637 6.24624 6.59716 8.06536 5.37796 6.17628 13.1834 7.11498 9.23153 5.45036 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 8.14788 8.28466 14.8035 9.36645 8.80479 8.27212 14.6969 numMergedOcc 0
16 mol 248 unq 0 iso 0 dist 8.53033 6.12544 7.16525 12.2076 7.97135 6.71566 12.4697 4.30004 9.56569 6.77954 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.02661 17.306 8.52587 16.9837 8.2997 5.90436 12.0331 5.29529 7.56915 9.56685 numMergedOcc 0
