0 mol 51 unq 0 iso 0 dist 7.20455 4.38531 7.12423 12.5189 13.6102 9.0709 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.17977 5.03832 8.05508 7.67586 5.34079 6.85766 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.17977 6.31331 9.00229 11.3144 10.1484 8.95999 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 9.0756 7.72666 8.05508 12.0152 5.34079 6.85766 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 9.0756 10.7027 9.00229 17.146 10.1484 8.95999 numMergedOcc 0
5 mol 59 unq 4 iso 0 dist 6.83083 10.3198 8.05508 11.5955 5.34079 6.85766 numMergedOcc 0
6 mol 59 unq 5 iso 0 dist 6.83083 9.44066 9.00229 15.033 10.1484 8.95999 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 9.27499 9.19693 8.46556 12.0931 4.90701 6.72123 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.923 15.9971 9.65047 12.9972 5.33325 7.27724 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 7.923 15.9971 9.65047 10.0474 5.69671 8.03644 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 8.54807 6.40193 9.65047 6.05043 5.33325 7.27724 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 8.54807 6.40193 9.65047 10.3984 5.69671 8.03644 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 6.34761 5.51609 9.44713 6.06543 4.1386 7.35754 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.74464 6.82985 6.31125 6.38977 5.6098 8.40312 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.74464 6.82985 6.31125 9.69757 4.29914 7.12972 numMergedOcc 0
15 mol 131 unq 2 iso 0 dist 8.74464 6.82985 6.31125 12.5659 5.59449 6.85062 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 7.40347 8.33357 8.7366 9.75427 4.90475 7.7059 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 7.5179 9.26656 5.59806 10.9735 8.66436 9.87651 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 8.01303 5.361 5.59806 6.64164 8.66436 9.87651 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 6.99667 6.23589 4.84709 8.3035 4.55245 8.82096 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 6.22499 7.3913 4.84709 9.01896 4.55245 8.82096 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.49227 6.02375 9.07872 10.7118 9.9474 7.09863 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.09975 9.50847 9.07872 14.829 9.9474 7.09863 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 9.56736 7.41111 6.11137 15.1127 15.1664 9.99038 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 9.56736 7.41111 6.11137 12.4926 9.01197 6.27581 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 9.19624 5.97775 8.91612 10.286 5.11865 6.73034 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 9.22345 8.46956 9.30668 5.69465 8.04474 8.2734 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 9.81603 13.3056 7.53641 10.4924 5.58251 8.2734 numMergedOcc 0
