0 mol 24 unq 0 iso 0 dist 8.70827 6.6219 4.04519 8.23075 12.2271 10.1923 13.5399 19.1942 17.7547 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.70827 5.68215 13.7009 8.23075 12.2271 9.24731 13.5399 19.1942 13.302 8.25818 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.73939 6.6219 12.5545 8.23075 12.2839 10.1923 13.5399 14.8722 17.7547 8.25818 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.73939 5.68215 4.08755 8.23075 12.2839 9.24731 13.5399 14.8722 13.302 8.25818 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.27838 7.12321 14.005 4.86198 13.6186 4.38233 4.7874 12.1747 10.6615 6.79423 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.54568 7.7068 4.93735 8.04242 13.5973 11.1225 8.37717 15.3758 13.4949 4.18248 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.8822 8.80934 7.1951 7.02367 5.40648 3.52445 13.0914 9.34113 4.30875 7.02358 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 8.8822 8.80934 7.1951 9.30832 15.5674 10.4701 10.2689 16.2322 12.6114 9.14336 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 9.66219 8.80934 3.84573 7.02367 3.52111 3.52445 13.0914 5.35711 4.30875 7.02358 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 9.66219 8.80934 3.84573 9.30832 13.7232 10.4701 10.2689 15.4368 12.6114 9.14336 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 8.88537 6.00603 6.29388 4.42563 8.90201 3.17342 6.34716 15.1966 11.4057 8.565 numMergedOcc 0
11 mol 122 unq 1 iso 0 dist 9.23819 6.00603 9.83972 4.42563 11.3935 3.17342 6.34716 14.9314 11.4057 8.565 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 7.78652 7.36975 12.207 8.99891 14.3396 14.4074 6.75249 13.6073 11.7801 4.3855 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 7.78652 5.40637 10.0079 8.99891 14.3396 5.94217 6.75249 13.6073 6.60366 4.3855 numMergedOcc 0
14 mol 143 unq 2 iso 0 dist 8.91301 7.36975 14.7271 8.99891 12.476 14.4074 6.75249 12.9862 11.7801 4.3855 numMergedOcc 0
15 mol 143 unq 3 iso 0 dist 8.91301 5.40637 9.05366 8.99891 12.476 5.94217 6.75249 12.9862 6.60366 4.3855 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 7.37798 8.21793 8.75651 8.82761 15.5804 14.4808 4.67313 10.7796 9.02881 9.71831 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 7.73322 8.21793 8.99471 8.82761 6.78109 14.4808 4.67313 8.59946 9.02881 9.71831 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 8.14332 8.22569 6.60887 9.09354 13.1121 10.3403 3.62097 10.4161 10.8822 7.93317 numMergedOcc 0
19 mol 213 unq 3 iso 0 dist 8.14332 8.22569 6.60887 4.66576 6.78109 5.45331 7.49785 8.59946 13.1965 9.71831 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 3.65199 9.25759 4.93516 4.68668 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 3.65199 9.25759 4.93516 4.68668 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 3.65199 9.25759 4.93516 4.68668 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 7.07965 7.20674 13.8094 4.49592 5.06937 9.42231 7.22011 5.91617 13.6757 8.07775 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 7.07965 8.38121 13.8468 4.49592 5.06937 11.9106 7.22011 5.91617 14.0481 8.07775 numMergedOcc 0
