0 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 10.8001 5.60154 8.47421 6.62605 6.85412 8.27962 9.29529 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.25179 13.7 8.57077 10.8001 5.60154 8.47421 4.75933 6.33889 11.4878 7.2199 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.72522 16.5569 8.57077 10.7994 5.60154 8.47421 11.0121 6.85412 8.27962 9.29529 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.72522 16.5569 8.57077 10.7994 5.60154 8.47421 6.35665 6.33889 11.4878 7.2199 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 10.5081 5.98837 8.26899 12.406 10.335 6.75888 8.80108 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 9.95565 10.2377 7.64585 5.39389 7.76729 10.7942 6.40036 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 5.22628 10.0419 9.33865 10.2245 10.7942 7.76729 9.61278 12.0409 6.34759 7.99631 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 10.2245 10.7942 7.76729 5.26498 7.64585 10.2377 6.40036 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 10.4013 4.77464 9.81878 9.46933 8.59981 14.085 6.3244 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 13.2601 8.22779 9.8589 11.0605 9.31887 11.0415 4.79852 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 7.94593 8.63795 7.652 13.2601 8.22779 7.24908 11.0605 9.31887 5.0384 4.79852 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.15963 5.49666 9.15386 7.82604 8.25067 9.6668 9.09192 6.94688 6.80228 8.20656 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 7.15963 5.49666 9.15386 7.82604 8.25067 9.6668 12.1848 6.71012 11.6919 9.40622 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.9527 7.98696 6.87664 4.53973 7.06793 9.36098 8.89778 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 11.9527 7.98696 6.87664 5.98813 6.67585 5.29877 9.47554 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 8.47457 8.1404 6.60589 10.8956 6.12232 6.65984 15.2106 10.8259 7.12232 9.47554 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 15.1563 15.9563 9.5707 13.9372 15.004 5.56749 8.49841 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.17032 9.25445 9.45496 15.1563 15.9563 9.5707 20.2083 17.6567 12.1076 9.6101 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.84872 4.28841 5.4638 11.4738 4.65302 8.21247 12.8279 10.7117 10.6981 7.27958 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.99187 5.74685 6.22714 9.63117 5.17471 7.49471 12.307 9.38422 12.1252 6.17025 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 5.99187 5.87189 7.31233 10.6202 11.2717 7.02475 12.307 9.38422 8.82861 6.65088 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 5.99187 5.87189 7.31233 13.1524 12.6986 7.67322 12.307 9.38422 8.82861 6.5772 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 5.99187 5.87189 7.31233 9.63117 5.17471 7.19008 12.307 9.38422 8.82861 6.17025 numMergedOcc 0
