0 mol 10 unq 0 iso 0 dist 7.47015 7.36963 3.92592 5.18342 5.66059 8.09253 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.72923 9.79797 5.14633 13.4946 11.9026 8.47223 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 8.72923 9.79797 5.14633 13.6638 14.4071 9.75277 numMergedOcc 0
3 mol 52 unq 2 iso 0 dist 8.72923 9.79797 5.14633 9.76622 11.7865 8.01537 numMergedOcc 0
4 mol 52 unq 3 iso 0 dist 6.68656 9.46119 5.14633 12.2695 11.9026 8.47223 numMergedOcc 0
5 mol 52 unq 4 iso 0 dist 6.68656 9.46119 5.14633 15.3847 14.4071 9.75277 numMergedOcc 0
6 mol 52 unq 5 iso 0 dist 6.68656 9.46119 5.14633 13.0792 11.7865 8.01537 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.16338 8.85892 9.38626 9.06035 14.1824 9.47628 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.54919 7.56 5.76452 5.81115 4.3247 6.63733 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 6.65318 5.15951 7.60413 5.24487 11.2676 5.58623 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.21272 8.25027 16.0555 6.30204 12.7467 4.79003 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 6.08141 5.98495 4.88147 9.98671 11.2168 9.38425 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.28099 5.09756 4.03697 3.77738 10.8472 7.12029 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 8.28099 7.44523 8.99937 3.77738 10.8472 8.56602 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 8.96031 9.56218 6.3369 6.4779 7.59836 7.86997 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 8.96031 8.30899 8.54288 6.4779 7.59836 6.80944 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.97204 8.55819 18.1408 7.9527 15.7885 5.31916 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.70651 7.13253 4.68548 7.52857 11.8822 7.53576 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 7.24253 5.91328 10.1372 6.0421 12.6911 8.48003 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 7.24253 6.02146 12.4661 6.0421 12.6911 5.54003 numMergedOcc 0
20 mol 243 unq 2 iso 0 dist 7.83742 5.91328 10.2211 6.0421 7.74534 8.48003 numMergedOcc 0
21 mol 243 unq 3 iso 0 dist 7.83742 6.02146 7.64155 6.0421 7.74534 5.54003 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.43704 8.34536 6.44203 11.3295 10.5461 5.8804 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 7.41653 8.34536 12.4315 11.3295 17.194 5.8804 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 7.23618 8.52702 14.885 13.9141 21.0485 8.01717 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.47906 7.75982 3.80663 13.0226 12.4128 9.44618 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 8.2053 5.31969 3.97454 6.3641 9.06675 5.63358 numMergedOcc 0
