0 mol 76 unq 0 iso 0 dist 6.19716 6.70013 7.81334 12.7355 9.86664 10.4613 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 8.1489 4.73724 7.81334 8.54904 9.86664 10.4613 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 9.65012 7.90331 5.69384 10.5635 8.04168 6.35003 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 9.65012 7.90331 5.69384 8.26855 5.70907 3.45432 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 7.10351 8.97165 5.69384 14.0819 8.04168 6.35003 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 7.10351 8.97165 5.69384 6.06978 5.70907 3.45432 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 8.65878 8.6549 6.92225 13.6732 6.11331 9.02669 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 5.94881 8.85582 6.69054 4.61696 8.999 8.2542 numMergedOcc 0
8 mol 173 unq 0 iso 0 dist 5.01585 8.0029 5.36078 7.29413 7.17037 3.83661 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 8.26119 13.7534 7.47107 10.739 5.53324 12.1522 numMergedOcc 0
10 mol 194 unq 1 iso 0 dist 8.26119 13.7534 7.47107 14.8319 6.72182 5.18485 numMergedOcc 0
11 mol 194 unq 2 iso 0 dist 9.10338 13.5452 7.47107 5.22745 5.53324 12.1522 numMergedOcc 0
12 mol 194 unq 3 iso 0 dist 9.10338 13.5452 7.47107 9.19768 6.72182 5.18485 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 9.34695 16.0024 9.65075 6.38826 9.57955 13.5289 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 9.34695 16.0024 9.65075 11.0792 8.79277 6.40342 numMergedOcc 0
15 mol 225 unq 2 iso 0 dist 7.55355 8.90714 8.28454 16.5481 9.87668 11.1052 numMergedOcc 0
16 mol 225 unq 3 iso 0 dist 7.55355 8.90714 8.28454 11.4833 8.42121 3.60045 numMergedOcc 0
17 mol 225 unq 4 iso 0 dist 7.55355 8.90714 8.28454 6.98336 7.8744 12.7272 numMergedOcc 0
18 mol 225 unq 5 iso 0 dist 7.55355 8.90714 8.28454 6.45087 4.98402 10.6169 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 5.01762 8.92996 9.43554 9.20475 7.22664 6.9412 numMergedOcc 0
20 mol 250 unq 1 iso 0 dist 5.01762 8.92996 9.43554 4.62181 7.15762 6.56481 numMergedOcc 0
21 mol 250 unq 2 iso 0 dist 5.01762 8.76762 9.21681 9.20475 7.22664 15.9167 numMergedOcc 0
22 mol 250 unq 3 iso 0 dist 5.01762 8.76762 9.21681 4.62181 7.15762 12.9916 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 9.84667 11.9929 8.28871 10.0046 7.14086 3.63202 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 9.84667 14.4117 7.94668 10.0046 7.14086 13.3131 numMergedOcc 0
25 mol 270 unq 0 iso 0 dist 7.90419 8.32836 8.05859 6.44843 7.39185 12.8011 numMergedOcc 0
26 mol 270 unq 1 iso 0 dist 7.90419 8.32836 8.05859 7.19917 8.20158 12.2628 numMergedOcc 0
