0 mol 0 unq 0 iso 0 dist 8.82652 10.1875 9.72725 12.7669 6.0225 7.65806 18.0887 14.6538 8.29174 9.67081 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 7.12984 12.089 8.66248 7.49157 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.14598 9.20254 7.95042 6.85331 5.69214 6.86014 5.31288 10.4905 6.73521 7.73794 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.88243 7.93761 5.38524 11.2558 5.61579 6.81627 10.7895 10.8756 7.93183 9.4278 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.88243 13.2851 8.69057 11.2558 5.61579 7.32874 10.7895 10.8756 10.7675 9.4278 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 10.1171 4.99174 9.03572 6.84485 4.3439 4.73066 7.51733 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.23073 7.95165 8.27883 14.2142 8.67311 8.83255 6.84485 4.3439 4.73066 9.01607 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 6.84952 5.82029 7.02507 10.8197 7.03983 6.48948 15.06 8.7081 13.2057 7.92856 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 12.8179 13.1926 5.99315 15.9112 11.7801 6.75249 8.64905 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 11.2249 5.39112 8.56324 17.8948 10.6225 12.2243 9.00072 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 9.17216 13.4463 6.70693 13.9365 4.94983 5.87555 16.3297 8.60651 4.68615 6.79114 numMergedOcc 0
11 mol 152 unq 2 iso 0 dist 9.17216 13.4463 6.70693 13.9365 4.94983 5.87555 17.8948 10.6225 4.73288 7.59457 numMergedOcc 0
12 mol 152 unq 3 iso 0 dist 9.17216 13.4463 6.70693 11.2249 5.39112 6.70283 17.8948 10.6225 4.73288 9.00072 numMergedOcc 0
13 mol 152 unq 4 iso 0 dist 9.17216 13.4463 6.70693 17.5113 9.67475 8.67331 17.8948 10.6225 4.73288 7.55419 numMergedOcc 0
14 mol 152 unq 5 iso 0 dist 9.40483 7.17016 6.59889 13.9298 5.39112 8.56324 15.8506 10.6225 12.2243 9.00072 numMergedOcc 0
15 mol 152 unq 6 iso 0 dist 9.40483 11.3742 6.70693 13.1463 4.94983 5.87555 11.5151 8.60651 4.68615 6.79114 numMergedOcc 0
16 mol 152 unq 7 iso 0 dist 9.40483 11.3742 6.70693 13.1463 4.94983 5.87555 15.8506 10.6225 4.73288 7.59457 numMergedOcc 0
17 mol 152 unq 8 iso 0 dist 9.40483 11.3742 6.70693 13.9298 5.39112 6.70283 15.8506 10.6225 4.73288 9.00072 numMergedOcc 0
18 mol 152 unq 9 iso 0 dist 9.40483 11.3742 6.70693 18.3042 9.67475 8.67331 15.8506 10.6225 4.73288 7.55419 numMergedOcc 0
19 mol 152 unq 10 iso 0 dist 9.44172 6.62991 8.9192 11.2249 4.84714 8.56324 17.8948 12.4493 12.2243 9.00072 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.75579 4.25942 6.52816 10.4618 13.514 7.26832 15.3022 19.8921 13.3822 7.13783 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.40328 12.3834 6.9899 14.9752 7.09907 5.30224 17.006 12.745 5.96249 9.18798 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 8.40328 12.3834 6.9899 14.9752 7.09907 5.30224 15.0418 10.838 5.97386 8.25897 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 9.91103 5.77904 8.9682 8.35794 17.6038 9.7748 5.11865 13.9096 7.75371 5.69112 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 9.91103 5.77904 8.9682 8.35794 17.6038 9.7748 8.46455 16.9668 11.3546 7.2091 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 7.0603 5.77904 6.92711 8.35794 14.772 9.7748 5.11865 11.5963 7.75371 5.69112 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 7.0603 5.77904 6.92711 8.35794 14.772 9.7748 8.46455 14.8995 11.3546 7.2091 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.4869 6.07005 6.02353 10.6192 4.90315 6.53701 10.5111 8.96231 6.87492 6.01897 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 7.4869 7.38048 6.86234 10.6192 4.90315 6.0664 10.5111 8.96231 3.51781 6.01897 numMergedOcc 0
