0 mol 45 unq 0 iso 0 dist 4.5673 6.87036 3.61653 5.59308 6.01423 8.50375 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.64915 4.2253 4.31939 5.79235 5.9249 5.82384 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.15654 6.61645 3.87825 6.3678 6.72712 5.32369 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 6.15654 6.61645 3.87825 7.31722 5.39745 7.03417 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 4.86767 7.4113 3.67473 5.27861 6.13559 8.61909 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.46376 9.57243 3.84623 6.55605 5.52683 6.40751 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.23676 8.77524 3.85186 5.64245 7.10526 4.51124 numMergedOcc 0
11 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 6.69832 8.94909 6.59989 numMergedOcc 0
12 mol 256 unq 0 iso 0 dist 9.65136 6.33954 5.59732 5.34142 7.48269 5.85613 numMergedOcc 0
13 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 9.01459 5.7131 3.93401 numMergedOcc 0
