0 mol 2 unq 0 iso 0 dist 5.5745 8.5893 8.75089 4.00237 6.90295 5.74846 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.5745 8.29974 8.39246 4.00237 6.90295 4.93584 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.05508 8.11934 12.2118 4.82623 12.3441 6.10199 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 9.00229 8.11934 5.43926 4.82623 8.30217 6.10199 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.23023 9.739 5.40759 14.5346 14.5505 9.86479 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 7.74197 6.64933 11.9839 4.56066 10.7263 9.06249 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.86537 6.64933 10.6664 4.56066 12.2051 9.06249 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 6.35462 6.64933 4.79268 4.56066 7.74064 9.06249 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 8.181 4.78944 3.99091 8.19217 11.7315 9.60854 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.07256 9.06801 5.97115 12.8334 9.00072 7.78215 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 6.1835 6.09357 3.8758 6.11737 8.10592 5.32542 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.97921 8.99034 5.05715 10.0292 7.93088 9.67872 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 9.878 6.83972 4.84598 5.80135 12.7881 8.22259 numMergedOcc 0
13 mol 185 unq 1 iso 0 dist 9.21149 7.6878 4.84598 8.64775 12.7881 8.22259 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 9.78438 6.38964 6.13816 10.3421 9.4629 7.51798 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 9.55777 8.33743 8.6493 9.08651 5.1609 8.47836 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.86371 9.28645 4.04791 6.9328 8.40074 9.57433 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 9.86371 9.80348 11.4868 3.42123 12.3169 9.41157 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 9.13552 8.9785 4.04791 3.90226 8.40074 9.57433 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 9.83721 9.91856 8.55247 3.67805 10.0745 9.16774 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 8.12852 7.50074 12.6608 15.7607 20.6914 8.53393 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 8.12852 7.50074 12.6608 14.5235 18.4993 7.24165 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.09967 9.35835 6.74599 7.72539 13.0817 8.87546 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.49076 9.35835 12.292 7.72539 8.12739 8.87546 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 8.11838 5.56721 6.2159 4.20802 5.72327 6.12608 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 7.88897 5.56721 4.39241 4.20802 5.81301 6.12608 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.53641 8.25719 9.6563 12.3674 15.6546 9.66129 numMergedOcc 0
