0 mol 16 unq 0 iso 0 dist 5.46498 7.63133 5.32694 6.73355 8.41862 13.0191 6.56335 6.70071 10.454 7.40724 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.46498 8.71745 5.74188 6.73355 8.41862 8.16785 6.56335 6.70071 4.50891 7.40724 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.71745 7.63133 10.4155 6.73355 8.16785 13.0191 6.56335 4.50891 10.454 7.40724 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 8.71745 5.46498 5.74188 6.73355 8.16785 8.41862 6.56335 4.50891 6.70071 7.40724 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 5.39241 9.75144 12.4274 6.60423 6.00575 5.97304 8.62284 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 10.5365 6.89191 12.054 7.93481 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 10.5365 6.89191 11.0355 7.93481 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 10.5365 11.0355 6.89191 7.93481 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 10.5365 11.0355 12.054 7.93481 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 12.7784 11.3547 11.9834 7.93481 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 12.7784 11.9834 11.3547 7.93481 numMergedOcc 0
11 mol 58 unq 6 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 16.5181 11.9834 16.2697 7.93481 numMergedOcc 0
12 mol 58 unq 7 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 16.5181 11.9834 11.0695 7.93481 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 7.98917 9.47876 7.22293 10.7271 4.18004 8.42713 8.87194 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.47541 7.97049 6.9948 7.98917 7.22293 9.47876 10.7271 8.42713 4.18004 8.87194 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.19965 7.95579 4.26409 11.6116 9.47876 13.6587 10.255 4.18004 6.50962 8.87194 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 6.19965 7.66905 6.9948 11.6116 9.47876 7.22293 10.255 4.18004 8.42713 8.87194 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 7.66905 7.95579 10.7229 11.6116 7.22293 13.6587 10.255 8.42713 6.50962 8.87194 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 7.66905 6.19965 6.9948 11.6116 7.22293 9.47876 10.255 8.42713 4.18004 8.87194 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.99832 5.81965 9.70512 12.3604 5.7134 10.7874 9.28578 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 6.82344 7.4729 8.95922 6.99832 9.70512 5.81965 12.3604 10.7874 5.7134 9.28578 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 6.11741 9.33865 8.02349 10.8292 6.99777 13.9977 10.9734 7.3094 6.4497 9.9928 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 11.7126 6.99777 11.695 5.72642 7.3094 5.61704 9.9928 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 7.88312 5.83991 8.02349 11.7126 6.99777 13.9977 5.72642 7.3094 6.4497 9.9928 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 15.7259 8.6769 20.431 9.4062 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 15.7259 8.6769 14.6565 9.4062 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 11.0415 9.31887 12.816 12.6297 13.9336 15.1986 7.01126 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 9.0018 5.6234 6.2715 11.0415 9.31887 12.816 15.2721 11.873 15.5696 6.58434 numMergedOcc 0
28 mol 175 unq 2 iso 0 dist 9.0018 6.57069 8.16421 11.0415 9.31887 11.3137 12.6297 13.9336 11.3554 7.01126 numMergedOcc 0
29 mol 175 unq 3 iso 0 dist 9.0018 6.57069 8.16421 11.0415 9.31887 11.3137 15.2721 11.873 12.4837 6.58434 numMergedOcc 0
30 mol 175 unq 4 iso 0 dist 7.652 9.92231 6.2715 5.0384 9.31887 12.816 10.1905 13.9336 15.1986 7.01126 numMergedOcc 0
31 mol 175 unq 5 iso 0 dist 7.652 9.92231 6.2715 5.0384 9.31887 12.816 11.1503 11.873 15.5696 6.58434 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 5.4601 7.20046 10.2276 6.51749 5.93488 13.8722 7.345 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 10.0524 7.13543 10.7636 6.51749 5.93488 13.8722 9.52987 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 5.4601 7.20046 11.968 6.51749 5.93488 7.64267 7.345 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 10.0524 7.13543 11.8099 6.51749 5.93488 7.64267 9.52987 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 5.71262 8.36822 12.1647 7.24199 7.0057 8.51255 8.53433 numMergedOcc 0
37 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 6.67959 7.46831 10.852 6.38157 5.63388 7.38025 5.10114 numMergedOcc 0
38 mol 214 unq 1 iso 0 dist 8.85478 7.14453 11.3796 6.67959 7.46831 12.6888 6.38157 5.63388 9.35273 5.10114 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 6.43754 8.17891 12.4085 8.03442 10.5813 10.2525 7.1372 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 8.03442 10.5813 7.22396 7.1372 numMergedOcc 0
41 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 6.43754 8.17891 11.004 8.03442 10.5813 6.10296 7.1372 numMergedOcc 0
42 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 8.03442 10.5813 9.69537 7.1372 numMergedOcc 0
43 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 6.43754 6.95902 12.4085 8.03442 7.22396 10.2525 7.1372 numMergedOcc 0
44 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 8.03442 7.22396 10.5813 7.1372 numMergedOcc 0
45 mol 227 unq 6 iso 0 dist 8.65997 7.56888 9.70012 6.43754 6.95902 11.004 8.03442 7.22396 6.10296 7.1372 numMergedOcc 0
46 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 8.03442 7.22396 9.69537 7.1372 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 11.9624 13.0113 11.0349 6.89694 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 5.64181 10.216 7.83352 6.44735 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 7.31233 6.22714 5.34096 10.4664 6.55759 10.5202 5.64181 7.83352 10.216 8.6597 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 7.31233 6.22714 5.34096 11.2717 7.02475 12.1784 5.64181 7.83352 10.216 7.47235 numMergedOcc 0
51 mol 238 unq 4 iso 0 dist 7.31233 6.22714 5.34096 12.6986 7.67322 12.1937 11.9624 11.0349 13.0113 7.61203 numMergedOcc 0
52 mol 238 unq 5 iso 0 dist 7.31233 6.22714 5.34096 5.17471 7.19008 7.49471 11.9624 11.0349 13.0113 6.89694 numMergedOcc 0
53 mol 238 unq 6 iso 0 dist 7.31233 6.22714 5.34096 5.17471 7.19008 7.49471 5.64181 7.83352 10.216 6.44735 numMergedOcc 0
54 mol 252 unq 0 iso 0 dist 8.1148 8.1715 8.41807 4.23801 7.66365 10.165 6.11473 9.32326 5.72783 6.57207 numMergedOcc 0
55 mol 252 unq 1 iso 0 dist 8.1148 8.1715 8.41807 4.23801 7.66365 10.165 8.47784 5.89666 10.672 5.2361 numMergedOcc 0
56 mol 252 unq 2 iso 0 dist 8.33025 9.2288 8.41807 9.37715 7.66365 10.165 10.7615 9.32326 5.72783 6.57207 numMergedOcc 0
57 mol 252 unq 3 iso 0 dist 8.33025 9.2288 8.41807 9.37715 7.66365 10.165 12.0482 5.89666 10.672 5.2361 numMergedOcc 0
58 mol 252 unq 4 iso 0 dist 8.33025 7.19638 14.9102 9.37715 7.66365 14.7097 10.7615 9.32326 13.9054 6.57207 numMergedOcc 0
59 mol 252 unq 5 iso 0 dist 8.33025 7.19638 14.9102 9.37715 7.66365 14.7097 12.0482 5.89666 18.2014 5.2361 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 11.6195 7.48005 10.9591 10.5803 5.60748 6.1686 6.39918 numMergedOcc 0
61 mol 272 unq 0 iso 0 dist 8.46116 8.33638 5.40809 8.52877 6.16449 10.1966 8.46061 4.86504 8.7909 7.55161 numMergedOcc 0
