0 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 12.8782 6.76736 8.73067 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.80828 4.78536 5.34723 10.5673 5.99096 7.9067 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.87036 5.59308 8.50375 9.72013 5.85737 7.70625 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 6.87036 5.59308 8.50375 4.5673 3.61653 6.01423 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.49794 4.09894 7.08628 5.60663 6.34854 8.58829 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.10222 8.4264 7.08628 13.8239 6.34854 8.58829 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.02693 5.14919 7.78587 10.9561 7.98468 7.10439 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.58248 15.124 7.78587 11.8962 7.98468 7.10439 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.65972 13.7118 9.11491 9.21479 5.84075 9.63599 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 4.2253 5.79235 5.82384 6.64915 4.31939 5.9249 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 4.2253 8.29654 7.15907 9.21479 5.41884 8.01743 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.66427 10.6818 6.54289 15.0808 7.66499 6.05495 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.51319 12.8729 5.61151 9.18097 5.22259 6.05495 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 8.49887 12.8729 6.54289 9.18097 7.66499 6.05495 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 9.43839 3.97167 5.61151 8.83135 5.22259 6.05495 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 6.61645 6.3678 5.32369 6.15654 3.87825 6.72712 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.61645 7.31722 7.03417 11.9868 9.04084 7.1539 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 6.61645 7.31722 7.03417 6.15654 3.87825 5.39745 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 7.4113 5.27861 8.61909 4.86767 3.67473 6.13559 numMergedOcc 0
19 mol 114 unq 1 iso 0 dist 8.53631 15.2678 8.61909 12.0984 3.67473 6.13559 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 9.57243 6.55605 6.40751 8.46376 3.84623 5.52683 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.77524 5.64245 4.51124 9.23676 3.85186 7.10526 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.62485 13.2905 8.71877 12.3944 13.8952 8.90076 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 8.62485 13.2905 8.71877 14.1787 12.856 6.62002 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.99104 6.59614 5.50017 11.0771 7.18773 8.08764 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 8.99104 14.2646 9.99181 11.0771 7.18773 9.01462 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 9.84028 6.69832 6.59989 7.28781 11.9238 8.94909 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 6.33954 5.34142 5.85613 9.65136 5.59732 7.48269 numMergedOcc 0
28 mol 256 unq 1 iso 0 dist 6.33954 5.34142 5.85613 9.47921 3.96807 6.71249 numMergedOcc 0
29 mol 256 unq 2 iso 0 dist 6.33954 5.34142 5.85613 13.6758 11.141 9.18903 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 8.14743 9.3815 8.56867 16.5607 13.0664 7.34094 numMergedOcc 0
31 mol 264 unq 1 iso 0 dist 8.75943 9.3815 6.29872 16.5607 10.4666 7.34094 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.25289 8.7383 3.93401 12.9862 4.30125 5.7131 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 9.29687 9.01459 3.93401 8.67838 4.30125 5.7131 numMergedOcc 0
