0 mol 7 unq 0 iso 0 dist 8.88982 10.5313 6.22805 14.92 8.72114 13.6771 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.38103 6.52889 8.84153 6.23859 7.47858 12.7224 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 11.7903 6.85331 7.1011 7.33768 10.7574 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.13365 11.7903 6.85331 10.8208 9.01567 15.2995 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.13365 11.7903 6.85331 13.3998 7.29868 12.8157 numMergedOcc 0
5 mol 33 unq 0 iso 0 dist 9.8294 13.2858 5.66319 4.41482 8.83487 10.4368 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 9.02927 12.9916 4.68793 11.098 8.51663 8.68242 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.13273 9.66122 8.26838 15.7943 9.49454 9.61054 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.53153 7.75063 9.89098 5.42142 9.97654 11.7971 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.29673 10.0451 7.15203 5.42142 7.71248 5.86611 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.39851 6.76394 8.11202 5.55502 6.6554 5.2832 numMergedOcc 0
11 mol 174 unq 0 iso 0 dist 6.90813 5.94137 4.93781 6.07412 8.87569 10.4483 numMergedOcc 0
12 mol 174 unq 1 iso 0 dist 6.90813 5.94137 4.93781 7.20832 9.87122 12.0746 numMergedOcc 0
13 mol 174 unq 2 iso 0 dist 6.90813 11.0982 9.32818 6.07412 8.87569 13.3134 numMergedOcc 0
14 mol 174 unq 3 iso 0 dist 6.90813 11.0982 9.32818 7.20832 9.87122 16.4521 numMergedOcc 0
15 mol 174 unq 4 iso 0 dist 6.90813 9.60153 7.03029 6.07412 8.87569 6.97204 numMergedOcc 0
16 mol 174 unq 5 iso 0 dist 6.90813 9.60153 7.03029 7.20832 9.87122 9.84841 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.50454 18.3782 9.63295 6.15536 5.9176 14.1039 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.50454 18.3782 9.63295 14.7795 6.41453 5.39949 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 8.80581 7.11843 9.63295 10.5065 5.9176 14.1039 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 8.80581 7.11843 9.63295 6.04759 6.41453 5.39949 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.20646 9.46912 7.7292 11.1093 9.68728 16.5925 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.73266 14.4545 7.7292 5.39256 9.68728 16.5925 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 7.94694 6.51093 8.73396 8.91883 6.16414 11.3915 numMergedOcc 0
24 mol 206 unq 1 iso 0 dist 7.94694 6.51093 8.73396 8.83227 7.33701 7.26571 numMergedOcc 0
25 mol 206 unq 2 iso 0 dist 7.94694 6.51093 8.73396 10.6714 8.0871 6.33838 numMergedOcc 0
26 mol 206 unq 3 iso 0 dist 7.51923 8.96746 7.10166 8.91883 7.75885 14.2366 numMergedOcc 0
27 mol 206 unq 4 iso 0 dist 7.51923 13.4727 9.66896 8.91883 7.75885 5.91675 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 8.13678 14.0835 7.87125 12.4498 9.74144 11.7484 numMergedOcc 0
29 mol 212 unq 1 iso 0 dist 8.13678 14.0835 7.87125 10.0809 8.69988 7.05237 numMergedOcc 0
30 mol 212 unq 2 iso 0 dist 8.13678 14.0835 7.87125 6.27773 8.55903 11.3998 numMergedOcc 0
31 mol 212 unq 3 iso 0 dist 8.13678 14.0835 7.87125 10.1594 7.15603 7.67532 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.51823 5.98533 8.89538 12.1252 8.67864 16.6173 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 7.0935 11.5359 6.01168 12.7219 6.68687 6.08726 numMergedOcc 0
34 mol 240 unq 1 iso 0 dist 7.0935 7.11628 6.83069 12.7219 6.68687 10.24 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 8.88567 11.5286 8.40961 10.9171 9.76787 5.87081 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 8.88567 11.855 9.42213 10.9171 9.76787 11.8683 numMergedOcc 0
37 mol 284 unq 0 iso 0 dist 9.12551 14.695 7.34344 9.83671 6.78191 6.50962 numMergedOcc 0
