0 mol 7 unq 0 iso 0 dist 6.66645 12.1978 5.72491 9.62914 5.44992 7.10621 13.4908 10.1959 8.72114 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.66645 4.78012 7.88043 11.5381 10.2446 8.41585 7.13214 7.25346 5.99972 12.0193 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.22017 4.78012 8.80762 11.5381 12.3097 8.41585 7.13214 10.0658 5.99972 12.0193 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.70793 8.93161 7.3915 9.55823 7.43529 8.96553 11.2348 5.65816 8.53529 4.36226 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.98291 6.32132 6.6492 7.0928 9.20601 5.04899 13.096 11.7817 7.45383 7.33728 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.98291 6.32132 6.6492 7.0928 9.20601 5.04899 12.7595 9.12941 9.01548 13.9331 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.58057 9.16445 6.77886 11.4753 6.03623 8.66265 7.52378 8.25666 7.16773 6.63327 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.04921 8.71681 7.55695 15.2792 9.62257 8.7531 12.3408 4.82351 9.90939 7.04075 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.99661 5.41023 6.61823 13.6801 6.08245 9.33898 8.57012 14.4996 8.91313 17.5889 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.99661 5.41023 6.61823 13.6801 6.08245 9.33898 9.75945 6.90324 8.16392 10.8304 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 8.99661 5.41023 6.61823 8.22406 7.24315 9.64443 8.57012 14.4996 8.91313 13.3881 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 8.99661 5.41023 6.61823 8.22406 7.24315 9.64443 9.75945 6.90324 8.16392 5.90097 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.96048 8.71142 7.12017 14.1058 9.52882 6.45675 15.1918 9.38256 7.38135 7.11701 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 8.96048 8.71142 7.12017 13.7943 12.6602 7.47343 15.1918 9.38256 7.38135 11.2312 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 8.96048 8.71142 7.12017 16.7446 14.8674 8.86688 15.1918 9.38256 7.38135 7.79768 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.2746 6.63018 7.99857 12.8917 7.61939 9.87172 13.4131 6.96805 9.11344 10.9441 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.2746 9.23197 8.56342 10.5727 4.91132 8.73993 13.4131 6.96805 6.52773 7.20179 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 9.2746 9.23197 8.56342 10.5727 4.91132 8.73993 12.3107 13.3975 9.23858 9.89358 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 8.01082 9.43922 5.60393 7.36642 5.28092 7.26832 14.5739 8.46033 5.44002 10.3603 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 9.76706 7.19612 5.37446 12.063 9.59996 6.18308 11.9541 7.1777 7.10826 5.87279 numMergedOcc 0
