0 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 5.59847 4.10106 6.50001 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 11.0243 5.50396 6.36381 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 4.93826 8.40051 9.23015 5.63212 5.77745 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.54885 5.08675 6.89136 12.8367 7.12408 9.37435 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 3.68549 6.21952 6.88974 8.3224 6.54878 5.14358 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 3.68549 6.21952 6.88974 8.5615 5.53425 7.3557 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 3.68549 5.06613 5.5814 8.5615 5.53425 8.98564 numMergedOcc 0
7 mol 30 unq 3 iso 0 dist 3.68549 5.06613 5.5814 7.54379 4.20285 7.51725 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 12.1036 4.23671 8.85156 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.49531 4.84407 8.69069 5.96246 7.26851 9.70292 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.49531 4.84407 8.69069 10.1197 9.13016 9.59704 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 11.8912 3.9764 8.3505 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 15.0815 7.03983 7.34638 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 9.83528 10.11 4.50572 15.0815 7.03983 6.0995 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 9.83528 10.11 4.50572 15.8983 13.1657 9.25525 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 7.54969 12.9828 5.9747 8.79016 3.9764 8.3505 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 7.54969 12.9828 5.9747 12.3426 7.03983 7.34638 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 7.54969 9.82501 4.50572 12.3426 7.03983 6.0995 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 7.54969 9.82501 4.50572 15.9383 13.1657 9.25525 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 6.62354 5.00433 9.94704 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 9.26438 9.97562 8.3164 13.5662 6.35679 8.30089 numMergedOcc 0
21 mol 109 unq 2 iso 0 dist 6.43255 13.5611 8.3164 8.00085 5.00433 9.94704 numMergedOcc 0
22 mol 109 unq 3 iso 0 dist 6.43255 13.5611 8.3164 12.5487 6.35679 8.30089 numMergedOcc 0
23 mol 109 unq 4 iso 0 dist 7.4389 13.6781 8.3164 11.8878 5.00433 9.94704 numMergedOcc 0
24 mol 109 unq 5 iso 0 dist 7.4389 13.6781 8.3164 10.7117 6.35679 8.30089 numMergedOcc 0
25 mol 128 unq 0 iso 0 dist 8.3127 3.56535 8.01677 12.69 10.0888 9.45412 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 13.8132 7.68889 9.81212 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 5.82039 8.60571 9.78438 9.36144 7.89575 8.79378 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.14754 13.7042 9.2053 11.7375 4.54188 6.32334 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.95071 5.05085 6.11137 5.9625 10.5937 9.94117 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 7.49412 10.8749 7.89744 15.9176 14.162 9.94117 numMergedOcc 0
31 mol 237 unq 0 iso 0 dist 9.59483 18.3553 9.42743 17.5557 11.815 9.58403 numMergedOcc 0
32 mol 237 unq 1 iso 0 dist 8.42717 6.24855 9.42743 14.3407 11.815 9.58403 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 8.85887 10.1159 6.83408 10.3051 6.56539 9.13546 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 8.85887 10.1159 6.83408 12.6614 4.76241 8.7365 numMergedOcc 0
