0 mol 24 unq 0 iso 0 dist 7.18124 14.4339 8.10168 3.4435 7.85986 15.6705 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.10168 14.4339 7.18124 15.6705 7.85986 3.4435 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 8.87977 3.94863 9.43843 6.64001 6.46549 4.58085 numMergedOcc 0
3 mol 85 unq 0 iso 1 dist 9.43843 3.94863 8.87977 4.58085 6.46549 6.64001 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.24171 11.0297 5.38148 9.04448 7.30244 5.25923 numMergedOcc 0
5 mol 123 unq 0 iso 1 dist 5.38148 11.0297 8.24171 5.25923 7.30244 9.04448 numMergedOcc 0
6 mol 123 unq 1 iso 0 dist 8.24171 7.51698 6.63094 9.04448 7.30244 11.8191 numMergedOcc 0
7 mol 123 unq 1 iso 1 dist 6.63094 7.51698 8.24171 11.8191 7.30244 9.04448 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 5.38148 10.0622 6.63094 5.25923 7.30244 11.8191 numMergedOcc 0
9 mol 123 unq 1 iso 1 dist 6.63094 10.0622 5.38148 11.8191 7.30244 5.25923 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.8911 6.75352 7.02043 5.06665 7.84546 7.7998 numMergedOcc 0
11 mol 131 unq 0 iso 1 dist 7.02043 6.75352 9.8911 7.7998 7.84546 5.06665 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 9.27485 7.44268 5.32542 6.20748 9.36663 8.07977 numMergedOcc 0
13 mol 157 unq 0 iso 1 dist 5.32542 7.44268 9.27485 8.07977 9.36663 6.20748 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.93083 6.72909 5.62851 5.9935 7.02762 8.11291 numMergedOcc 0
15 mol 184 unq 0 iso 1 dist 5.62851 6.72909 8.93083 8.11291 7.02762 5.9935 numMergedOcc 0
16 mol 196 unq 0 iso 0 dist 8.94198 4.06975 9.49159 3.68546 6.14222 6.56216 numMergedOcc 0
17 mol 196 unq 0 iso 1 dist 9.49159 4.06975 8.94198 6.56216 6.14222 3.68546 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 8.94198 8.37672 8.79306 3.68546 6.14222 7.25762 numMergedOcc 0
19 mol 196 unq 1 iso 1 dist 8.79306 8.37672 8.94198 7.25762 6.14222 3.68546 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 9.49159 8.80543 8.79306 6.56216 6.14222 7.25762 numMergedOcc 0
21 mol 196 unq 1 iso 1 dist 8.79306 8.80543 9.49159 7.25762 6.14222 6.56216 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.42716 5.97362 5.69652 9.6084 5.59832 8.16279 numMergedOcc 0
23 mol 205 unq 0 iso 1 dist 5.69652 5.97362 8.42716 8.16279 5.59832 9.6084 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 8.42716 5.97362 5.69652 3.5693 9.17562 6.29383 numMergedOcc 0
25 mol 205 unq 1 iso 1 dist 5.69652 5.97362 8.42716 6.29383 9.17562 3.5693 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.07582 4.08016 8.62183 9.11338 5.05626 10.6097 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 8.62183 4.08016 9.07582 10.6097 5.05626 9.11338 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 5.3772 11.653 8.70007 3.63667 8.31526 15.2842 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 8.70007 11.653 5.3772 15.2842 8.31526 3.63667 numMergedOcc 0
