0 mol 1 unq 0 iso 0 dist 9.60596 15.4778 8.31812 13.4629 5.0634 9.40784 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.19692 12.3358 7.57624 8.49934 4.35049 8.2071 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.99116 5.88204 7.62728 13.0127 10.2348 9.32654 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.95383 7.30833 7.62728 15.5257 10.2348 9.32654 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 9.19481 5.88204 8.3921 13.0127 5.8562 9.32654 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.24063 5.97999 7.09118 11.051 10.9352 8.75826 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 9.49925 3.93734 7.09118 12.459 10.9352 8.75826 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 9.38099 3.82401 7.09118 7.34068 10.9352 8.75826 numMergedOcc 0
8 mol 83 unq 3 iso 0 dist 8.76065 8.59639 7.09118 9.01467 10.9352 8.75826 numMergedOcc 0
9 mol 83 unq 4 iso 0 dist 5.49193 10.1485 7.09118 11.8443 10.9352 8.75826 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.975 11.5208 9.32166 16.2395 11.0524 6.14769 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 9.975 9.01154 5.92729 16.2395 11.0524 8.02616 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.96907 8.52311 8.88404 13.8368 16.27 8.14817 numMergedOcc 0
13 mol 151 unq 0 iso 0 dist 5.78631 4.53999 9.07182 12.9526 14.9295 9.62391 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 9.00812 8.00959 6.08508 13.6596 5.79543 8.01191 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 5.05201 4.97404 7.14633 9.34888 5.86596 8.20035 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 5.05201 13.9288 9.94302 9.51432 4.81714 9.49142 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 5.51163 13.1305 7.74885 8.59955 4.32828 7.668 numMergedOcc 0
18 mol 268 unq 0 iso 0 dist 6.98033 8.02425 4.89865 5.46063 3.57919 7.79813 numMergedOcc 0
19 mol 268 unq 1 iso 0 dist 6.98033 8.02425 4.89865 14.3886 10.0762 9.54291 numMergedOcc 0
20 mol 268 unq 2 iso 0 dist 6.98033 4.26793 8.62771 5.46063 3.57919 8.72202 numMergedOcc 0
