0 mol 8 unq 0 iso 0 dist 4.92734 6.26138 6.31827 7.35767 8.96553 12.1933 6.57999 8.4069 5.27819 9.62879 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.4754 7.3795 6.23795 7.06064 9.62879 12.4058 11.9453 8.4069 12.9016 8.96553 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.57999 6.26138 5.27819 7.35767 9.62879 12.1933 4.92734 8.4069 6.31827 8.96553 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.68311 9.96602 10.1538 15.0607 9.96708 15.1902 10.1663 8.24309 5.8486 9.78528 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 6.7212 9.08821 5.82403 11.6369 9.96708 13.9308 12.3223 10.7394 10.4539 8.8178 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.124 6.10011 5.7113 13.4367 6.19304 11.4799 10.1112 5.4148 7.4697 9.96396 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.124 6.10011 5.7113 13.4367 6.19304 11.4799 19.5696 13.3558 19.0652 8.70481 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.96916 5.70279 5.33144 5.92158 6.45675 7.47343 9.71692 9.71151 10.1407 8.86688 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.70279 8.96916 5.33144 5.92158 7.47343 6.45675 9.71692 10.1407 9.71151 8.86688 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 5.70279 8.96916 5.33144 5.85449 6.65086 10.1409 11.3277 5.88134 7.1752 9.60661 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 5.70279 8.96916 5.33144 7.68675 6.56369 11.8665 11.3277 5.88134 7.1752 9.35224 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.79004 8.43069 5.61668 10.0277 7.24514 10.2995 14.9707 6.761 8.28069 9.91388 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.79004 8.43069 5.61668 10.0277 7.24514 10.2995 16.8376 7.6656 12.4308 9.52634 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.27598 5.57904 5.00817 6.50005 6.37586 6.49416 12.3933 5.49782 8.80819 8.94367 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 7.27598 5.57904 5.00817 12.0971 9.71307 12.5075 12.3933 5.49782 8.80819 9.86662 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 5.57904 7.27598 5.00817 7.41837 6.54501 9.5126 11.3191 5.79898 7.11631 9.89303 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 5.57904 7.27598 5.00817 6.50005 6.49416 6.37586 12.3933 8.80819 5.49782 8.94367 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 9.19499 7.11647 5.56175 5.66289 7.44554 8.94056 13.581 8.38403 11.2719 9.83699 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 7.11647 9.19499 5.56175 5.66289 8.94056 7.44554 13.581 11.2719 8.38403 9.83699 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.90247 6.58792 6.01247 5.114 9.1374 9.94371 10.3907 8.88798 12.6324 5.98885 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.90247 6.58792 6.01247 5.114 9.1374 9.94371 13.7299 12.1628 16.5106 9.15386 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.73411 7.75485 5.60236 9.81806 6.57273 10.5128 10.1632 5.0744 6.91102 6.60589 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 9.73411 7.75485 5.60236 5.99647 5.78342 5.81334 10.1632 5.0744 6.91102 9.16166 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 7.75485 9.73411 5.60236 5.99647 5.81334 5.78342 10.1632 6.91102 5.0744 9.16166 numMergedOcc 0
24 mol 224 unq 3 iso 0 dist 7.07564 9.11052 5.60236 10.8463 6.57273 10.5128 12.0295 5.0744 6.91102 6.60589 numMergedOcc 0
25 mol 224 unq 4 iso 0 dist 7.07564 9.11052 5.60236 5.44863 5.78342 5.81334 12.0295 5.0744 6.91102 9.16166 numMergedOcc 0
26 mol 224 unq 5 iso 0 dist 9.11052 7.07564 5.60236 5.44863 5.81334 5.78342 12.0295 6.91102 5.0744 9.16166 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 9.95681 9.05762 5.51688 5.79827 8.02547 6.05727 10.8774 10.0727 4.63549 8.43057 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 9.05762 9.95681 5.51688 5.79827 6.05727 8.02547 10.8774 4.63549 10.0727 8.43057 numMergedOcc 0
