0 mol 10 unq 0 iso 0 dist 5.66059 6.77258 5.59965 3.26546 7.8329 9.76721 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 5.81645 5.51351 7.48846 4.83794 6.53981 8.06674 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.98874 12.7242 8.29857 7.26691 6.28603 6.17529 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.98874 12.7242 8.29857 6.03108 8.80303 9.78584 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.98874 12.7242 8.29857 12.9989 7.11491 11.505 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.20373 17.3249 9.17082 13.0814 5.27979 10.1434 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.09041 12.4018 8.03296 7.97382 9.99805 8.85563 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.09041 12.4018 8.03296 14.2831 8.84225 4.37918 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 9.09041 5.71329 5.82754 7.97382 9.99805 6.01885 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 9.09041 5.71329 5.82754 14.2831 8.84225 9.08423 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 9.09041 10.427 8.87742 7.97382 9.99805 3.94192 numMergedOcc 0
11 mol 79 unq 5 iso 0 dist 9.09041 10.427 8.87742 14.2831 8.84225 6.29733 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.48163 5.60494 6.77241 4.5216 6.89071 8.93569 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.48163 4.76916 5.50508 4.5216 6.89071 3.98877 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.05937 7.21894 7.20249 10.6622 6.21165 5.77063 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.38183 14.0112 6.75376 14.7238 8.40695 5.59893 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.38183 14.0112 6.75376 16.6977 9.35867 3.89483 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 6.65725 4.84884 7.54099 6.53883 7.02762 4.12242 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.819 14.3175 6.1886 3.64489 8.43182 13.0087 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 5.60146 6.44798 7.95359 7.17774 9.30179 8.74744 numMergedOcc 0
20 mol 244 unq 1 iso 0 dist 5.60146 6.44798 7.95359 5.2958 6.10489 5.98501 numMergedOcc 0
21 mol 244 unq 2 iso 0 dist 5.60146 6.44798 7.95359 7.02866 4.4204 5.00596 numMergedOcc 0
22 mol 244 unq 3 iso 0 dist 5.60146 11.4169 6.22122 7.17774 9.30179 13.2473 numMergedOcc 0
23 mol 244 unq 4 iso 0 dist 5.60146 11.4169 6.22122 5.2958 6.10489 10.1665 numMergedOcc 0
24 mol 244 unq 5 iso 0 dist 5.60146 11.4169 6.22122 7.02866 4.4204 5.68434 numMergedOcc 0
25 mol 244 unq 6 iso 0 dist 9.80249 13.543 7.95359 17.7969 9.30179 8.74744 numMergedOcc 0
26 mol 244 unq 7 iso 0 dist 9.80249 13.543 7.95359 7.64875 6.10489 5.98501 numMergedOcc 0
27 mol 244 unq 8 iso 0 dist 9.80249 13.543 7.95359 11.5997 4.4204 5.00596 numMergedOcc 0
28 mol 244 unq 9 iso 0 dist 9.80249 12.7037 6.22122 17.7969 9.30179 13.2473 numMergedOcc 0
29 mol 244 unq 10 iso 0 dist 9.80249 12.7037 6.22122 7.64875 6.10489 10.1665 numMergedOcc 0
30 mol 244 unq 11 iso 0 dist 9.80249 12.7037 6.22122 11.5997 4.4204 5.68434 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 9.31961 11.1373 6.37963 11.4428 8.08629 3.70808 numMergedOcc 0
32 mol 256 unq 1 iso 0 dist 9.31961 12.3321 6.00636 11.4428 8.08629 10.03 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 7.88238 13.008 8.20644 3.60894 6.23115 12.1127 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 5.24993 4.47263 7.34931 7.60413 7.74874 9.94624 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 8.53802 9.52438 6.95912 14.2891 7.99204 5.75106 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 8.53802 9.52438 6.95912 14.2891 7.99204 5.75106 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 8.53802 9.52438 6.95912 14.2891 7.99204 5.75106 numMergedOcc 0
