0 mol 16 unq 0 iso 0 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 6.73355 8.41862 13.0191 8.16785 6.56335 6.70071 10.454 4.50891 7.40724 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 6.73355 8.41862 8.16785 13.0191 6.56335 6.70071 4.50891 10.454 7.40724 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.71745 7.63133 10.4155 5.46498 5.74188 5.32694 6.73355 8.16785 13.0191 8.41862 6.56335 4.50891 10.454 6.70071 7.40724 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 8.71745 5.46498 5.74188 7.63133 10.4155 5.32694 6.73355 8.16785 8.41862 13.0191 6.56335 4.50891 6.70071 10.454 7.40724 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 6.47744 8.63333 11.5023 8.89374 10.5365 6.89191 12.054 11.0355 7.93481 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 6.47744 8.63333 8.89374 11.5023 10.5365 6.89191 11.0355 12.054 7.93481 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 6.47744 8.89374 8.63333 11.5023 10.5365 11.0355 6.89191 12.054 7.93481 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 6.47744 8.89374 11.5023 8.63333 10.5365 11.0355 12.054 6.89191 7.93481 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 13.1021 9.73139 15.9764 10.9482 16.5181 11.9834 16.2697 11.0695 7.93481 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 13.1021 9.73139 10.9482 15.9764 16.5181 11.9834 11.0695 16.2697 7.93481 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 11.6116 9.47876 13.6587 7.22293 10.255 4.18004 6.50962 8.42713 8.87194 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 11.6116 9.47876 7.22293 13.6587 10.255 4.18004 8.42713 6.50962 8.87194 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 11.6116 7.22293 13.6587 9.47876 10.255 8.42713 6.50962 4.18004 8.87194 numMergedOcc 0
13 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 11.6116 7.22293 9.47876 13.6587 10.255 8.42713 4.18004 6.50962 8.87194 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 11.7126 6.99777 11.695 13.9977 5.72642 7.3094 5.61704 6.4497 9.9928 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 11.7126 6.99777 13.9977 11.695 5.72642 7.3094 6.4497 5.61704 9.9928 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 12.2037 7.92688 17.2931 15.1694 15.7259 8.6769 20.431 14.6565 9.4062 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 12.2037 7.92688 15.1694 17.2931 15.7259 8.6769 14.6565 20.431 9.4062 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 6.57069 8.16421 5.35493 11.0415 9.31887 12.816 11.3137 12.6297 13.9336 15.1986 11.3554 7.01126 numMergedOcc 0
19 mol 175 unq 0 iso 1 dist 9.0018 6.57069 8.16421 5.6234 6.2715 5.35493 11.0415 9.31887 11.3137 12.816 12.6297 13.9336 11.3554 15.1986 7.01126 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 9.0018 5.6234 6.2715 6.57069 8.16421 5.35493 11.0415 9.31887 12.816 11.3137 15.2721 11.873 15.5696 12.4837 6.58434 numMergedOcc 0
21 mol 175 unq 1 iso 1 dist 9.0018 6.57069 8.16421 5.6234 6.2715 5.35493 11.0415 9.31887 11.3137 12.816 15.2721 11.873 12.4837 15.5696 6.58434 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 5.4601 7.20046 10.2276 11.968 6.51749 5.93488 13.8722 7.64267 7.345 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 5.4601 7.20046 11.968 10.2276 6.51749 5.93488 7.64267 13.8722 7.345 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.0524 7.13543 10.7636 11.8099 6.51749 5.93488 13.8722 7.64267 9.52987 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.0524 7.13543 11.8099 10.7636 6.51749 5.93488 7.64267 13.8722 9.52987 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 7.14453 11.3796 9.10746 6.67959 7.46831 10.852 12.6888 6.38157 5.63388 7.38025 9.35273 5.10114 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 8.85478 7.14453 11.3796 9.65138 4.40923 9.10746 6.67959 7.46831 12.6888 10.852 6.38157 5.63388 9.35273 7.38025 5.10114 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 6.43754 8.17891 12.4085 6.95902 8.03442 10.5813 10.2525 7.22396 7.1372 numMergedOcc 0
29 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 6.43754 8.17891 6.95902 12.4085 8.03442 10.5813 7.22396 10.2525 7.1372 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 6.43754 8.17891 12.4085 11.004 8.03442 10.5813 10.2525 6.10296 7.1372 numMergedOcc 0
31 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 6.43754 8.17891 11.004 12.4085 8.03442 10.5813 6.10296 10.2525 7.1372 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 6.43754 8.17891 12.4085 12.8864 8.03442 10.5813 10.2525 9.69537 7.1372 numMergedOcc 0
33 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 6.43754 8.17891 12.8864 12.4085 8.03442 10.5813 9.69537 10.2525 7.1372 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 6.43754 8.17891 6.95902 11.004 8.03442 10.5813 7.22396 6.10296 7.1372 numMergedOcc 0
35 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 6.43754 8.17891 11.004 6.95902 8.03442 10.5813 6.10296 7.22396 7.1372 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 6.43754 8.17891 6.95902 12.8864 8.03442 10.5813 7.22396 9.69537 7.1372 numMergedOcc 0
37 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 6.43754 8.17891 12.8864 6.95902 8.03442 10.5813 9.69537 7.22396 7.1372 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 6.43754 8.17891 11.004 12.8864 8.03442 10.5813 6.10296 9.69537 7.1372 numMergedOcc 0
39 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 6.43754 8.17891 12.8864 11.004 8.03442 10.5813 9.69537 6.10296 7.1372 numMergedOcc 0
40 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 6.43754 6.95902 12.4085 8.17891 8.03442 7.22396 10.2525 10.5813 7.1372 numMergedOcc 0
41 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 6.43754 6.95902 8.17891 12.4085 8.03442 7.22396 10.5813 10.2525 7.1372 numMergedOcc 0
42 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 6.43754 6.95902 12.4085 11.004 8.03442 7.22396 10.2525 6.10296 7.1372 numMergedOcc 0
43 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 6.43754 6.95902 11.004 12.4085 8.03442 7.22396 6.10296 10.2525 7.1372 numMergedOcc 0
44 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 6.43754 6.95902 12.4085 12.8864 8.03442 7.22396 10.2525 9.69537 7.1372 numMergedOcc 0
45 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 6.43754 6.95902 12.8864 12.4085 8.03442 7.22396 9.69537 10.2525 7.1372 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 6.43754 6.95902 8.17891 11.004 8.03442 7.22396 10.5813 6.10296 7.1372 numMergedOcc 0
47 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 6.43754 6.95902 11.004 8.17891 8.03442 7.22396 6.10296 10.5813 7.1372 numMergedOcc 0
48 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 6.43754 6.95902 8.17891 12.8864 8.03442 7.22396 10.5813 9.69537 7.1372 numMergedOcc 0
49 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 6.43754 6.95902 12.8864 8.17891 8.03442 7.22396 9.69537 10.5813 7.1372 numMergedOcc 0
50 mol 227 unq 5 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 6.43754 6.95902 11.004 12.8864 8.03442 7.22396 6.10296 9.69537 7.1372 numMergedOcc 0
51 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 6.43754 6.95902 12.8864 11.004 8.03442 7.22396 9.69537 6.10296 7.1372 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 9.37715 7.66365 10.165 14.7097 10.7615 9.32326 5.72783 13.9054 6.57207 numMergedOcc 0
53 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 9.37715 7.66365 14.7097 10.165 10.7615 9.32326 13.9054 5.72783 6.57207 numMergedOcc 0
54 mol 252 unq 1 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 9.37715 7.66365 10.165 14.7097 12.0482 5.89666 10.672 18.2014 5.2361 numMergedOcc 0
55 mol 252 unq 1 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 9.37715 7.66365 14.7097 10.165 12.0482 5.89666 18.2014 10.672 5.2361 numMergedOcc 0
