0 mol 0 unq 0 iso 0 dist 7.20999 4.36715 8.82102 5.56011 7.65806 4.87624 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.32392 10.4879 9.85726 15.5277 9.60499 11.5784 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.4754 6.06114 7.45487 7.06064 9.62879 5.43751 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 6.57999 5.24855 7.45487 7.35767 9.62879 5.43751 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 6.89209 6.09608 8.39221 5.49061 6.38364 7.00835 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 8.59049 10.2869 8.47315 5.70228 4.7319 5.59769 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 6.84569 9.57729 8.67719 5.46269 5.46498 6.53177 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.20058 17.1139 9.90845 16.6906 8.86116 9.59761 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.20058 17.1139 9.90845 14.9411 8.38394 9.89489 numMergedOcc 0
9 mol 34 unq 0 iso 0 dist 5.2422 5.41061 6.87871 5.74753 9.24927 8.95909 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 9.70415 14.0458 9.62468 5.46309 6.65721 10.7369 numMergedOcc 0
11 mol 61 unq 1 iso 0 dist 9.70415 14.0458 9.62468 11.9897 6.72123 11.5608 numMergedOcc 0
12 mol 61 unq 2 iso 0 dist 9.70415 6.47853 5.92705 5.46309 6.65721 5.4671 numMergedOcc 0
13 mol 61 unq 3 iso 0 dist 9.70415 6.47853 5.92705 11.9897 6.72123 10.1513 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 8.44515 11.6592 7.49054 6.1985 5.83409 5.49044 numMergedOcc 0
15 mol 90 unq 1 iso 0 dist 9.41382 5.79126 7.49054 6.45992 5.83409 5.49044 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 9.72688 12.2379 8.54906 9.68673 7.88289 6.6292 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 9.72688 12.2379 8.54906 15.0368 9.01083 12.3193 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 9.84673 12.6508 9.10229 5.09542 7.36792 8.17186 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 7.51061 5.07258 8.21889 5.29855 7.34473 5.5332 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 7.0318 10.7285 7.70533 8.12649 9.84395 6.29427 numMergedOcc 0
21 mol 117 unq 1 iso 0 dist 7.0318 10.7285 7.70533 5.21051 7.90328 14.3476 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.62648 10.604 9.42766 4.6251 8.73993 14.0677 numMergedOcc 0
23 mol 125 unq 0 iso 0 dist 6.03557 7.09758 8.84867 5.14495 8.62381 5.41246 numMergedOcc 0
24 mol 126 unq 0 iso 0 dist 6.24392 5.28929 9.06961 5.50061 6.06638 9.07346 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 8.99949 7.31861 8.97145 11.3502 6.85062 14.257 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 8.99949 4.55152 6.5874 11.3502 6.85062 7.60371 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 9.68507 4.87536 6.71202 9.75709 7.66148 5.70205 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 7.98018 5.21836 9.16591 4.68187 9.83699 9.27577 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 8.71409 17.7409 9.67457 12.9212 6.18308 5.82028 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 6.21273 9.98645 7.31105 5.1021 9.23153 14.6296 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 6.21273 9.98645 7.31105 6.29601 8.24498 9.52692 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 9.73411 13.9782 9.33771 14.1073 8.95269 5.41021 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 9.73411 13.9782 9.33771 9.81806 6.57273 4.91322 numMergedOcc 0
34 mol 224 unq 2 iso 0 dist 9.73411 13.9782 9.33771 5.99647 5.78342 12.979 numMergedOcc 0
35 mol 224 unq 3 iso 0 dist 7.07564 14.788 9.33771 11.8217 8.95269 5.41021 numMergedOcc 0
36 mol 224 unq 4 iso 0 dist 7.07564 14.788 9.33771 10.8463 6.57273 4.91322 numMergedOcc 0
37 mol 224 unq 5 iso 0 dist 7.07564 14.788 9.33771 5.44863 5.78342 12.979 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 8.8557 9.61847 9.84492 5.65373 8.22528 11.9226 numMergedOcc 0
39 mol 230 unq 0 iso 0 dist 5.62804 5.24985 8.49299 6.33989 6.7547 6.9602 numMergedOcc 0
40 mol 231 unq 0 iso 0 dist 8.91036 14.3729 7.79865 10.613 7.37839 5.3251 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.06422 7.10888 6.83152 5.33697 6.57393 10.8336 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.64276 12.2489 5.24313 7.45873 7.31233 12.1448 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 8.61729 5.39741 6.37342 7.02319 6.16342 5.29737 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 8.9706 7.42035 8.58088 5.70285 6.60405 10.221 numMergedOcc 0
45 mol 258 unq 1 iso 0 dist 8.9706 7.42035 8.58088 6.50871 6.42289 9.22664 numMergedOcc 0
46 mol 261 unq 0 iso 0 dist 9.95681 11.6193 9.62828 5.79827 8.02547 10.5691 numMergedOcc 0
47 mol 272 unq 0 iso 0 dist 7.31993 9.00526 9.1118 7.33684 9.97651 11.082 numMergedOcc 0
48 mol 272 unq 1 iso 0 dist 7.31993 9.00526 9.1118 10.4451 8.46116 6.72149 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 8.30175 5.44831 7.80446 5.55557 9.10818 6.57235 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 8.30175 9.91966 9.91395 5.55557 9.10818 4.97216 numMergedOcc 0
51 mol 278 unq 0 iso 0 dist 8.83775 14.331 9.82774 4.66992 8.44326 10.5903 numMergedOcc 0
