0 mol 30 unq 0 iso 0 dist 7.15015 3.68549 5.5577 6.60844 8.83766 7.27268 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 3.68549 7.15015 5.5577 6.60844 7.27268 8.83766 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 8.90024 5.06502 6.66818 8.92291 6.79185 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 6.78532 5.89973 6.66818 8.92291 8.37962 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 6.84521 5.06502 6.66818 6.79185 8.92291 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 6.78532 6.45462 6.66818 6.79185 8.37962 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 6.78532 6.84521 5.89973 6.66818 8.37962 8.92291 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 6.78532 8.90024 6.45462 6.66818 8.37962 6.79185 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 14.0484 7.48658 11.6447 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 7.24527 7.4389 4.98336 11.9937 9.97334 13.2552 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.64633 9.9633 5.00116 7.45267 9.11812 6.78225 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 9.9633 8.64633 5.00116 7.45267 6.78225 9.11812 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.66715 9.00172 8.18495 12.9222 9.64695 4.51266 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.00172 8.66715 8.18495 12.9222 4.51266 9.64695 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.31276 5.79157 11.6064 7.24636 6.50009 12.8066 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.31276 5.50687 13.7309 7.24636 6.50009 11.2661 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.31276 7.30919 14.069 7.24636 6.50009 12.2509 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 7.30919 8.31276 14.069 15.7575 8.65986 21.0114 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 7.30919 5.79157 8.25185 15.7575 8.65986 15.9311 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 7.30919 5.50687 6.90348 15.7575 8.65986 15.1156 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 6.44195 7.34207 9.41666 6.31686 7.74216 13.4624 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.14464 9.93754 16.5576 7.27468 9.20561 9.88976 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 9.93754 8.14464 16.5576 7.27468 9.88976 9.20561 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 6.88694 6.32302 5.57838 10.7974 7.38552 10.662 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 7.43241 9.98268 17.2899 11.0973 8.06073 20.1369 numMergedOcc 0
25 mol 284 unq 1 iso 0 dist 7.43241 6.83147 13.5089 11.0973 8.06073 17.3307 numMergedOcc 0
