0 mol 27 unq 0 iso 0 dist 6.56549 6.72058 6.78936 13.98 10.1896 8.11206 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.81143 14.4774 7.79336 16.2029 10.3961 8.55901 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.81143 14.4774 7.79336 19.5475 9.85481 9.03412 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 9.78839 14.4774 7.08559 16.2029 7.52709 8.55901 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 9.78839 14.4774 7.08559 19.5475 10.3431 9.03412 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.69574 6.13812 5.81001 13.4793 11.9463 8.59109 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 8.69574 6.13812 5.81001 11.1486 4.51883 8.13782 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.01601 15.5086 8.35444 15.1193 6.61741 6.90952 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.42219 10.3316 8.0168 13.7893 6.04071 7.99631 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.42219 10.3316 8.0168 5.58063 5.65471 6.40036 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.13697 5.90631 5.52149 9.2078 11.3936 6.4218 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 5.56446 7.03121 4.26972 11.1454 6.37052 8.55681 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 7.25009 4.40049 5.36254 7.62575 4.48516 7.37901 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 7.85801 7.57363 5.79911 10.317 5.4245 6.33838 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 8.79884 4.18393 7.79951 10.9376 12.0749 7.95168 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 8.7831 5.3674 8.24424 13.7617 9.35904 9.2911 numMergedOcc 0
16 mol 233 unq 1 iso 0 dist 9.61071 5.3674 7.0942 13.7617 5.88701 9.2911 numMergedOcc 0
17 mol 233 unq 2 iso 0 dist 7.1229 5.3674 6.01775 13.7617 9.59241 9.2911 numMergedOcc 0
18 mol 233 unq 3 iso 0 dist 9.55705 9.76593 6.01775 16.23 9.59241 9.2911 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.96382 13.1765 7.39547 13.4351 9.79637 6.5772 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 6.96382 8.92175 7.24334 13.4351 9.79637 6.17025 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 7.13727 13.0115 9.84652 12.5547 13.037 6.65088 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 7.13727 13.0115 9.84652 10.4661 9.75095 6.5772 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 7.13727 13.0115 9.84652 15.1031 11.7709 8.70193 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 7.13727 13.0115 9.84652 9.57914 6.12722 6.17025 numMergedOcc 0
25 mol 238 unq 6 iso 0 dist 7.13727 13.0115 9.84652 15.0345 12.1711 9.0378 numMergedOcc 0
26 mol 238 unq 7 iso 0 dist 8.56975 14.0686 9.84652 13.1095 13.037 6.65088 numMergedOcc 0
27 mol 238 unq 8 iso 0 dist 8.56975 14.0686 9.84652 9.46582 9.75095 6.5772 numMergedOcc 0
28 mol 238 unq 9 iso 0 dist 8.56975 14.0686 9.84652 13.0803 11.7709 8.70193 numMergedOcc 0
29 mol 238 unq 10 iso 0 dist 8.56975 14.0686 9.84652 12.4083 6.12722 6.17025 numMergedOcc 0
30 mol 238 unq 11 iso 0 dist 8.56975 14.0686 9.84652 18.4963 12.1711 9.0378 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 4.97796 5.95459 6.66172 8.62431 5.70568 8.49866 numMergedOcc 0
