0 mol 45 unq 0 iso 0 dist 4.5673 5.59308 6.01423 6.87036 3.61653 8.50375 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 5.60663 4.09894 8.58829 7.49794 6.34854 7.08628 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.66506 13.1044 7.10439 10.3601 7.98468 7.78587 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 9.22889 6.26867 5.9249 10.1173 4.31939 5.82384 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 6.64915 5.79235 5.9249 4.2253 4.31939 5.82384 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.18097 12.8729 6.05495 7.51319 5.22259 5.61151 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.18097 12.8729 6.05495 8.49887 7.66499 6.54289 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 8.83135 3.97167 6.05495 9.43839 5.22259 5.61151 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 8.83135 3.97167 6.05495 10.329 7.66499 6.54289 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.31426 9.81259 7.1539 13.6006 9.04084 7.03417 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 6.15654 6.3678 6.72712 6.61645 3.87825 5.32369 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 6.15654 7.31722 5.39745 6.61645 3.87825 7.03417 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 9.63728 6.13136 9.10794 12.5912 8.11413 7.75479 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 4.86767 5.27861 6.13559 7.4113 3.67473 8.61909 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.03113 11.1305 6.49383 11.7697 4.13755 6.28029 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 9.2638 12.8624 6.49383 11.3496 4.13755 6.28029 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.46376 6.55605 5.52683 9.57243 3.84623 6.40751 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.23676 5.64245 7.10526 8.77524 3.85186 4.51124 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.23676 5.64245 7.10526 8.59764 9.61866 8.41517 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.85821 10.9858 5.88802 14.0672 9.24057 8.08777 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 7.28781 6.69832 8.94909 9.84028 11.9238 6.59989 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 7.00841 9.65183 8.94909 14.9698 11.9238 6.59989 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 9.65136 5.34142 7.48269 6.33954 5.59732 5.85613 numMergedOcc 0
23 mol 256 unq 1 iso 0 dist 7.54955 8.04009 7.48269 10.6552 5.59732 5.85613 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.30195 7.96744 7.48235 13.9064 14.4818 9.94661 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 8.67838 9.01459 5.7131 9.29687 4.30125 3.93401 numMergedOcc 0
