0 mol 7 unq 0 iso 0 dist 9.67498 15.0231 9.85726 17.8527 10.4879 7.32392 15.2305 11.5784 9.60499 15.5277 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.32945 17.302 9.85726 15.7555 10.4879 7.32392 16.6563 11.5784 9.60499 15.5277 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.66311 4.15151 8.39221 8.88058 6.09608 6.89209 8.91266 7.00835 6.38364 5.49061 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.88676 6.06561 8.67719 11.7065 9.57729 6.84569 7.46752 6.53177 5.46498 5.46269 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.30431 6.32949 9.62468 10.2903 14.0458 9.70415 9.59947 10.7369 6.65721 5.46309 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 8.30431 6.32949 9.62468 10.2903 14.0458 9.70415 12.3891 11.5608 6.72123 11.9897 numMergedOcc 0
6 mol 61 unq 2 iso 0 dist 4.628 6.32949 5.92705 10.2903 6.47853 9.70415 9.59947 5.4671 6.65721 5.46309 numMergedOcc 0
7 mol 61 unq 3 iso 0 dist 4.628 6.32949 5.92705 10.2903 6.47853 9.70415 12.3891 10.1513 6.72123 11.9897 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 5.43401 7.49575 9.10229 11.8703 12.6508 9.84673 9.0361 8.17186 7.36792 5.09542 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.59182 12.4009 8.21889 12.4161 5.07258 7.51061 13.6568 5.5332 7.34473 5.29855 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 20.8016 17.7409 8.71409 8.07523 5.82028 6.18308 12.9212 numMergedOcc 0
11 mol 210 unq 1 iso 0 dist 9.00343 12.3088 9.67457 18.654 17.7409 8.71409 7.56882 5.82028 6.18308 12.9212 numMergedOcc 0
12 mol 210 unq 2 iso 0 dist 6.41444 13.3774 9.67457 21.963 17.7409 8.71409 10.5902 5.82028 6.18308 12.9212 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.57712 6.19375 7.31105 12.1736 9.98645 6.21273 15.0279 14.6296 9.23153 5.1021 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.57712 6.19375 7.31105 12.1736 9.98645 6.21273 13.2107 9.52692 8.24498 6.29601 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 7.62593 11.4653 9.33771 18.4903 13.9782 9.73411 4.79841 5.41021 8.95269 14.1073 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 7.62593 11.4653 9.33771 18.4903 13.9782 9.73411 9.04374 4.91322 6.57273 9.81806 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 7.62593 11.4653 9.33771 18.4903 13.9782 9.73411 15.1903 12.979 5.78342 5.99647 numMergedOcc 0
18 mol 224 unq 3 iso 0 dist 7.62593 11.4653 9.33771 14.1813 14.788 7.07564 4.79841 5.41021 8.95269 11.8217 numMergedOcc 0
19 mol 224 unq 4 iso 0 dist 7.62593 11.4653 9.33771 14.1813 14.788 7.07564 9.04374 4.91322 6.57273 10.8463 numMergedOcc 0
20 mol 224 unq 5 iso 0 dist 7.62593 11.4653 9.33771 14.1813 14.788 7.07564 15.1903 12.979 5.78342 5.44863 numMergedOcc 0
21 mol 231 unq 0 iso 0 dist 7.28719 10.9863 7.79865 18.4635 14.3729 8.91036 9.98232 5.3251 7.37839 10.613 numMergedOcc 0
22 mol 231 unq 1 iso 0 dist 6.60684 8.54452 7.79865 17.0912 14.3729 8.91036 10.174 5.3251 7.37839 10.613 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.57184 9.76195 6.83152 11.4755 7.10888 6.06422 15.3066 10.8336 6.57393 5.33697 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 5.57184 7.01206 5.24313 10.5902 12.2489 7.64276 13.8075 12.1448 7.31233 7.45873 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 7.70189 9.78068 8.58088 11.8229 7.42035 8.9706 14.0712 10.221 6.60405 5.70285 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 7.70189 9.78068 8.58088 11.8229 7.42035 8.9706 8.81059 9.22664 6.42289 6.50871 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.07452 6.11218 7.80446 6.08059 5.44831 8.30175 6.21831 6.57235 9.10818 5.55557 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 7.21004 6.11218 9.91395 6.08059 9.91966 8.30175 6.21831 4.97216 9.10818 5.55557 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 6.44266 6.98398 7.80446 10.2998 5.44831 8.30175 8.3291 6.57235 9.10818 5.55557 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 8.75703 6.98398 9.91395 10.2998 9.91966 8.30175 8.3291 4.97216 9.10818 5.55557 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 8.87405 8.66976 9.82774 16.7318 14.331 8.83775 15.1476 10.5903 8.44326 4.66992 numMergedOcc 0
