0 mol 44 unq 0 iso 0 dist 8.35366 8.76163 5.87258 16.1055 11.0602 7.61923 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 8.35366 8.76163 5.87258 12.9442 6.3575 5.11941 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 8.35366 8.76163 5.87258 11.6594 5.73343 5.84744 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 8.35366 8.76163 5.87258 12.322 3.97557 7.7864 numMergedOcc 0
4 mol 44 unq 4 iso 0 dist 8.69829 8.72795 5.87258 15.0548 11.0602 7.61923 numMergedOcc 0
5 mol 44 unq 5 iso 0 dist 8.69829 8.72795 5.87258 12.5723 6.3575 5.11941 numMergedOcc 0
6 mol 44 unq 6 iso 0 dist 8.69829 8.72795 5.87258 10.2296 5.73343 5.84744 numMergedOcc 0
7 mol 44 unq 7 iso 0 dist 8.69829 8.72795 5.87258 12.3315 3.97557 7.7864 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 5.76869 5.91159 6.03151 9.14996 7.35107 7.57749 numMergedOcc 0
9 mol 46 unq 1 iso 0 dist 5.76869 5.91159 6.03151 9.47718 8.85515 8.55202 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 7.36255 7.3395 5.62688 11.1213 5.16581 7.93171 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 6.96066 3.80156 6.63733 7.74131 12.7438 8.59739 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.28645 3.78964 7.77418 7.84249 4.59061 4.77996 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.66828 4.45029 8.46972 10.5788 8.56696 6.53559 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.66828 4.45029 8.46972 10.2029 9.22336 8.09774 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 6.80942 5.68679 8.14405 12.165 11.1511 7.25009 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 9.75562 8.2542 8.09699 14.4931 12.1824 6.51523 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.9224 3.81315 9.62225 7.95713 10.161 8.8637 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.83646 3.72761 5.41453 7.82564 5.12308 6.96382 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 7.85081 7.1875 5.52484 8.67304 8.53302 9.01651 numMergedOcc 0
20 mol 247 unq 1 iso 0 dist 7.85081 7.1875 5.52484 13.8661 9.26852 8.83903 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.8693 15.4174 9.40401 17.8273 12.746 7.15079 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 7.03782 5.08716 5.64169 11.5475 10.9845 7.15079 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 9.69083 12.9436 8.39635 16.7494 7.50871 8.4275 numMergedOcc 0
24 mol 283 unq 1 iso 0 dist 5.96202 3.77125 8.39635 8.36393 7.50871 8.4275 numMergedOcc 0
25 mol 283 unq 2 iso 0 dist 9.55068 11.2772 8.39635 14.2718 7.50871 8.4275 numMergedOcc 0
