0 mol 34 unq 0 iso 0 dist 6.73177 12.9926 9.44189 9.63453 7.32134 8.90278 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.27463 6.73436 8.08117 7.78895 7.84482 11.1435 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.58843 10.3508 7.56581 12.4849 9.34242 6.91765 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 7.58843 14.0756 9.22021 12.4849 9.34242 5.06052 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 4.76545 4.94224 7.13406 6.84808 9.84798 5.74658 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 8.41277 8.00793 8.63784 9.25043 8.68428 7.43212 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.78695 10.7122 5.72373 6.35116 6.11979 4.77464 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 9.78695 13.0671 7.20988 6.35116 6.11979 7.11695 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.94832 5.08964 8.65986 6.60331 5.99748 5.45435 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 5.94832 5.08964 8.65986 11.0781 9.28684 10.6609 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.06319 12.9417 6.95549 16.3566 9.37196 9.11521 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 9.06319 12.9417 6.95549 5.07181 8.57742 11.8699 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 7.23012 12.0164 7.61316 15.6696 9.61634 8.64937 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 7.23012 12.0164 7.61316 5.65101 5.11333 7.82648 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 6.48864 8.99006 8.29133 6.94077 5.18463 12.2579 numMergedOcc 0
15 mol 213 unq 1 iso 0 dist 6.48864 8.99006 8.29133 10.9204 7.06118 15.28 numMergedOcc 0
16 mol 213 unq 2 iso 0 dist 6.48864 8.64088 8.96646 6.94077 5.18463 13.2686 numMergedOcc 0
17 mol 213 unq 3 iso 0 dist 6.48864 8.64088 8.96646 10.9204 7.06118 15.6315 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 9.4555 11.5259 8.25629 9.63082 5.74825 7.97944 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 9.4555 4.72643 9.31373 9.63082 5.74825 7.12954 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 9.4555 16.8076 9.20561 9.63082 5.74825 11.8629 numMergedOcc 0
21 mol 225 unq 3 iso 0 dist 9.4555 9.6289 9.88976 9.63082 5.74825 14.2819 numMergedOcc 0
22 mol 225 unq 4 iso 0 dist 8.32227 13.4835 8.25629 13.9767 5.74825 7.97944 numMergedOcc 0
23 mol 225 unq 5 iso 0 dist 8.32227 15.1562 9.31373 13.9767 5.74825 7.12954 numMergedOcc 0
24 mol 225 unq 6 iso 0 dist 8.32227 12.1867 9.20561 13.9767 5.74825 11.8629 numMergedOcc 0
25 mol 225 unq 7 iso 0 dist 8.32227 5.92569 9.88976 13.9767 5.74825 14.2819 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 6.38661 6.0971 7.77578 7.05452 9.42987 5.79991 numMergedOcc 0
27 mol 229 unq 1 iso 0 dist 6.38661 5.6419 7.38552 7.05452 9.42987 4.45935 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.16203 10.6802 9.12664 13.6165 8.79594 5.51827 numMergedOcc 0
29 mol 248 unq 1 iso 0 dist 7.16203 5.45614 6.51383 13.6165 8.79594 9.29921 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.82174 5.58306 9.08128 5.90368 5.30004 4.51676 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 7.87195 4.33386 6.55783 10.6417 9.00811 6.35759 numMergedOcc 0
