0 mol 2 unq 0 iso 0 dist 5.5745 4.00237 6.90295 8.5893 8.75089 5.74846 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.5745 4.00237 6.90295 8.29974 8.39246 4.93584 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.51397 12.8646 8.14998 11.8528 6.10967 8.15337 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.00229 4.82623 8.30217 8.11934 5.43926 6.10199 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 6.35462 4.56066 7.74064 6.64933 4.79268 9.06249 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 7.04864 4.74539 6.42623 11.6385 4.98499 9.43682 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 7.04864 11.4443 8.95899 11.6385 4.98499 8.0564 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 8.67193 12.0363 8.111 20.2736 15.1597 8.24171 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 8.67193 12.0363 8.111 11.569 9.43434 5.38148 numMergedOcc 0
9 mol 123 unq 2 iso 0 dist 8.67193 12.0363 8.111 16.5779 9.21204 6.63094 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.07256 12.8334 9.00072 22.4162 17.8807 9.981 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.07256 12.8334 9.00072 9.06801 5.97115 7.78215 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 6.1835 6.11737 8.10592 10.5559 6.55112 9.27485 numMergedOcc 0
13 mol 157 unq 1 iso 0 dist 6.1835 6.11737 8.10592 6.09357 3.8758 5.32542 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.97921 10.0292 7.93088 8.99034 5.05715 9.67872 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 5.59806 5.09728 5.36671 9.12568 8.09332 7.33178 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.78438 10.3421 9.4629 6.38964 6.13816 7.51798 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.55777 9.08651 5.1609 8.33743 8.6493 8.47836 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 9.86371 6.9328 8.40074 9.28645 4.04791 9.57433 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 9.13552 3.90226 8.40074 8.9785 4.04791 9.57433 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 8.91612 9.82989 8.94786 12.1767 7.05009 9.01486 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 7.82899 11.7751 9.6834 13.2068 8.14464 8.86142 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.49076 7.72539 8.12739 9.35835 12.292 8.87546 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.11838 4.20802 5.72327 5.56721 6.2159 6.12608 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 7.88897 4.20802 5.81301 5.56721 4.39241 6.12608 numMergedOcc 0
