0 mol 16 unq 0 iso 0 dist 5.46498 7.63133 5.32694 6.56335 6.70071 10.454 6.73355 8.41862 13.0191 7.40724 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.46498 8.71745 5.74188 6.56335 6.70071 4.50891 6.73355 8.41862 8.16785 7.40724 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.71745 7.63133 10.4155 6.56335 4.50891 10.454 6.73355 8.16785 13.0191 7.40724 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 8.71745 5.46498 5.74188 6.56335 4.50891 6.70071 6.73355 8.16785 8.41862 7.40724 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 5.39241 9.75144 12.4274 8.62284 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 11.7126 6.99777 11.695 9.9928 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 11.7126 6.99777 13.9977 9.9928 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 5.4601 7.20046 10.2276 7.345 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 10.0524 7.13543 10.7636 9.52987 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 5.4601 7.20046 11.968 7.345 numMergedOcc 0
10 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 10.0524 7.13543 11.8099 9.52987 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 7.24199 7.0057 8.51255 5.71262 8.36822 12.1647 8.53433 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 6.38157 5.63388 7.38025 6.67959 7.46831 10.852 5.10114 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 8.85478 7.14453 11.3796 6.38157 5.63388 9.35273 6.67959 7.46831 12.6888 5.10114 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 6.43754 8.17891 12.4085 7.1372 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 6.43754 8.17891 6.95902 7.1372 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 6.43754 8.17891 11.004 7.1372 numMergedOcc 0
17 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 6.43754 8.17891 12.8864 7.1372 numMergedOcc 0
18 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 6.43754 6.95902 12.4085 7.1372 numMergedOcc 0
19 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 6.43754 6.95902 8.17891 7.1372 numMergedOcc 0
20 mol 227 unq 6 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 6.43754 6.95902 11.004 7.1372 numMergedOcc 0
21 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 6.43754 6.95902 12.8864 7.1372 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.64181 10.216 7.83352 5.17471 7.49471 7.19008 6.44735 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 10.4664 6.55759 10.5202 8.6597 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 11.2717 7.02475 12.1784 7.47235 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 5.17471 7.19008 7.49471 6.44735 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 8.1148 8.1715 8.41807 6.11473 9.32326 5.72783 4.23801 7.66365 10.165 6.57207 numMergedOcc 0
27 mol 252 unq 1 iso 0 dist 8.1148 8.1715 8.41807 8.47784 5.89666 10.672 4.23801 7.66365 10.165 5.2361 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 8.46116 8.33638 5.40809 8.46061 4.86504 8.7909 8.52877 6.16449 10.1966 7.55161 numMergedOcc 0
