0 mol 45 unq 0 iso 0 dist 9.32989 7.19021 6.22312 4.18584 9.90203 6.43774 6.15568 4.4816 5.73693 6.06454 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 9.32989 7.19021 6.22312 9.0702 12.3134 7.2846 6.15568 4.4816 5.73693 9.44459 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 6.8958 6.48625 7.17396 15.0717 13.5596 11.0904 8.64015 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.58384 9.55751 6.34264 5.85228 6.48625 7.17396 14.4867 13.5596 11.0904 8.64015 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 4.93112 9.74643 8.58044 10.3897 10.6546 5.54205 8.89913 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.44788 5.63005 12.1168 10.5268 19.2707 8.73993 9.15988 15.6809 3.78311 7.77116 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.23615 5.82404 7.96098 10.2385 10.4171 6.29155 10.8945 13.5152 5.74088 6.76699 numMergedOcc 0
7 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 9.9474 14.5974 7.09863 18.2547 22.3277 12.9587 8.38865 numMergedOcc 0
8 mol 236 unq 0 iso 0 dist 8.01164 9.89665 13.4013 11.247 15.5388 7.68742 16.2625 17.0554 9.05842 8.50331 numMergedOcc 0
9 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 9.18011 16.0821 5.72887 13.3717 16.2173 12.3808 7.32982 numMergedOcc 0
10 mol 238 unq 1 iso 0 dist 9.91921 6.2365 6.62361 4.7157 9.31417 5.72887 10.8216 16.0652 12.3808 7.32982 numMergedOcc 0
11 mol 238 unq 2 iso 0 dist 8.20243 6.2365 5.96552 4.7157 5.56719 5.72887 10.8216 11.468 12.3808 7.32982 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 6.48867 12.9664 6.60405 11.329 14.7635 7.42673 6.70815 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 9.4886 5.73834 8.31011 7.52881 14.2477 6.42289 11.329 14.7635 7.42673 7.99477 numMergedOcc 0
14 mol 258 unq 2 iso 0 dist 9.4886 5.73834 8.31011 7.52881 14.2477 6.42289 11.7075 12.5831 6.44209 7.86627 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 7.97113 9.12507 13.3027 5.59901 10.0766 5.30224 9.30428 16.5628 7.31951 8.59697 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 5.22111 9.12507 12.3218 5.59901 9.52383 5.30224 9.30428 13.6686 7.31951 8.59697 numMergedOcc 0
