0 mol 25 unq 0 iso 0 dist 8.94828 4.54526 4.79873 12.2829 5.59268 8.27137 9.23015 5.63212 7.44277 10.1908 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 12.2054 9.84195 9.81143 5.39587 4.55481 7.01952 12.188 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.36524 6.65242 6.24711 12.2054 9.84195 9.78839 5.39587 4.55481 4.58552 12.188 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 5.84326 11.3819 9.2898 13.0152 7.82856 7.93171 14.3292 9.67727 8.77529 7.2452 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.42474 6.59976 5.56994 9.83223 4.34071 4.77996 10.281 6.09562 7.31064 4.45743 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 5.79157 7.97297 8.69531 8.49649 6.36794 8.78303 8.8437 4.00092 8.62504 4.63732 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 8.22331 7.56497 6.0033 12.7386 9.61454 6.69042 10.9673 numMergedOcc 0
7 mol 197 unq 1 iso 0 dist 9.96544 9.66766 6.86828 8.22331 5.66137 6.0033 12.7386 7.59871 6.69042 10.9673 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 8.57514 12.7286 6.49765 12.7057 4.2475 6.41148 16.7486 8.97813 5.03818 6.10058 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 8.57514 12.7286 6.49765 14.4031 6.8901 5.06713 16.7486 8.97813 5.03818 3.50446 numMergedOcc 0
10 mol 205 unq 2 iso 0 dist 6.11505 12.0822 6.49765 9.86224 4.2475 6.41148 15.0907 8.97813 5.03818 6.10058 numMergedOcc 0
11 mol 205 unq 3 iso 0 dist 6.11505 12.0822 6.49765 12.7533 6.8901 5.06713 15.0907 8.97813 5.03818 3.50446 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 9.93754 15.2642 8.14831 16.8223 9.20928 7.25438 16.033 6.28241 6.46405 6.04066 numMergedOcc 0
13 mol 264 unq 0 iso 0 dist 6.65233 6.04707 8.29262 13.5684 13.8765 9.13546 12.6602 13.2035 9.78237 3.63202 numMergedOcc 0
14 mol 264 unq 1 iso 0 dist 6.65233 6.04707 8.29262 9.7518 6.12009 7.19658 12.6602 13.2035 9.78237 13.3131 numMergedOcc 0
15 mol 273 unq 0 iso 0 dist 9.79022 4.3735 6.31969 11.7493 8.50795 8.89714 12.7672 10.2693 9.02537 12.2057 numMergedOcc 0
