0 mol 76 unq 0 iso 0 dist 5.65006 5.61831 3.35924 12.5798 9.78762 12.7979 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.56 6.29801 3.07021 5.81115 6.63733 4.5892 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 5.15951 4.30961 3.54756 5.24487 5.58623 7.68838 numMergedOcc 0
3 mol 135 unq 0 iso 0 dist 8.55869 5.60595 4.98191 7.97354 7.29835 6.63808 numMergedOcc 0
4 mol 135 unq 1 iso 0 dist 6.65965 5.60595 5.83178 7.97354 8.08732 6.63808 numMergedOcc 0
5 mol 135 unq 2 iso 0 dist 6.65965 5.60595 5.83178 12.2181 9.13739 12.7526 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 5.98495 8.00826 8.19592 9.98671 9.38425 16.6184 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 9.56218 7.82717 13.8612 6.4779 7.86997 14.0748 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 9.56218 8.19926 13.9771 6.4779 7.86997 13.2243 numMergedOcc 0
9 mol 186 unq 2 iso 0 dist 9.56218 9.02402 3.2635 6.4779 7.86997 5.70056 numMergedOcc 0
10 mol 186 unq 3 iso 0 dist 8.30899 7.82717 12.9254 6.4779 6.80944 14.0748 numMergedOcc 0
11 mol 186 unq 4 iso 0 dist 8.30899 8.19926 11.6544 6.4779 6.80944 13.2243 numMergedOcc 0
12 mol 186 unq 5 iso 0 dist 8.30899 9.02402 4.9849 6.4779 6.80944 5.70056 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 8.18482 9.55667 3.70259 14.2537 9.85404 13.2388 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.05978 6.18239 3.52598 7.66976 9.99496 10.1464 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.34536 8.86773 3.04079 11.3295 5.8804 6.92906 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 8.34536 8.95095 6.41309 11.3295 5.8804 5.57978 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 6.54521 7.22473 7.35802 6.0591 8.29663 12.295 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 6.54521 6.02628 9.94995 6.0591 8.29663 12.0556 numMergedOcc 0
19 mol 260 unq 2 iso 0 dist 8.52702 7.13397 15.6308 13.9141 8.01717 20.6039 numMergedOcc 0
20 mol 260 unq 3 iso 0 dist 8.52702 5.33278 10.6938 13.9141 8.01717 15.4039 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 5.31969 7.58381 3.34167 6.3641 5.63358 5.76694 numMergedOcc 0
