0 mol 69 unq 0 iso 0 dist 7.70037 8.71627 6.51655 13.7644 8.36667 14.7243 numMergedOcc 0
1 mol 115 unq 0 iso 0 dist 7.11102 5.43229 5.80806 15.1019 9.95726 11.9027 numMergedOcc 0
2 mol 141 unq 0 iso 0 dist 8.3097 9.55297 6.41032 11.948 8.56593 11.7504 numMergedOcc 0
3 mol 141 unq 1 iso 0 dist 8.3097 7.447 12.5273 11.948 8.56593 16.5372 numMergedOcc 0
4 mol 141 unq 2 iso 0 dist 8.3097 6.59782 7.08657 11.948 8.56593 10.1665 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 6.4413 8.274 5.27089 13.2694 9.71692 14.6888 numMergedOcc 0
6 mol 150 unq 0 iso 0 dist 6.62609 8.39743 5.24014 13.3379 9.73708 14.6594 numMergedOcc 0
7 mol 151 unq 0 iso 0 dist 8.54771 9.74861 12.6439 4.76145 8.40442 10.6552 numMergedOcc 0
8 mol 178 unq 0 iso 0 dist 9.3355 5.85439 8.41654 5.50567 6.25455 8.3134 numMergedOcc 0
9 mol 178 unq 1 iso 0 dist 9.3355 5.85439 8.41654 6.1397 8.14441 5.20764 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.614 9.34871 13.6798 9.24302 8.78709 14.5356 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.614 5.55727 7.55918 9.24302 8.78709 9.34615 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 8.76741 6.06804 5.17887 10.5773 6.91184 9.73006 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 7.95918 6.29389 8.59973 4.96171 8.13696 7.469 numMergedOcc 0
14 mol 260 unq 1 iso 0 dist 7.95918 8.04372 5.0414 4.96171 8.13696 5.9721 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 3.97964 6.78323 5.97333 8.4621 8.57733 13.5117 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 3.97964 6.78323 5.97333 10.5502 9.05509 12.4313 numMergedOcc 0
17 mol 280 unq 2 iso 0 dist 7.72152 6.78323 12.0122 10.1323 6.83927 16.5015 numMergedOcc 0
