0 mol 8 unq 0 iso 0 dist 7.61253 6.16417 5.46588 3.85275 6.52138 4.32141 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.89531 4.77288 5.46588 5.43242 6.52138 4.32141 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.96529 6.1932 5.36258 8.87988 5.96899 4.33223 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.39332 10.0163 5.36258 6.08822 5.96899 4.33223 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.53459 4.70344 5.53875 4.74723 7.21223 6.80028 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.26423 8.344 9.20253 3.82278 6.68153 7.57153 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.82919 17.4568 9.20253 11.8487 6.68153 7.57153 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 8.18795 5.21179 9.46217 4.10723 7.93498 6.5311 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 5.68303 4.55484 8.18002 3.97203 5.26566 8.14072 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 5.68303 4.55484 8.18002 3.90966 6.27118 4.262 numMergedOcc 0
10 mol 68 unq 2 iso 0 dist 5.68303 6.74966 7.07032 3.97203 5.26566 5.54348 numMergedOcc 0
11 mol 68 unq 3 iso 0 dist 5.68303 6.74966 7.07032 3.90966 6.27118 3.9061 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.25015 4.51826 6.71591 6.06647 8.53631 7.85173 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 7.88346 9.73727 8.57285 6.03327 5.33772 4.19541 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.78385 11.8686 5.80433 15.1362 8.99777 4.30589 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.78385 12.0698 6.8285 15.1362 8.99777 8.75635 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 7.17789 12.8874 5.80433 16.123 8.99777 4.30589 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 7.17789 12.3457 6.8285 16.123 8.99777 8.75635 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 4.4558 5.65101 6.8093 4.99343 7.96463 10.347 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.7874 10.9747 6.96139 14.6013 9.53899 4.00138 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.04478 7.32002 4.57548 3.34784 7.24545 9.32521 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.63094 8.96859 6.45422 12.4587 8.99666 7.41325 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 8.22257 11.1006 8.5372 15.6949 9.84028 6.19835 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.27225 4.7348 6.73928 6.55101 5.94328 6.93346 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 5.16772 4.91827 7.58405 4.38276 6.90472 6.03233 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 5.16772 8.29529 7.26115 4.38276 6.90472 7.66564 numMergedOcc 0
