0 mol 33 unq 0 iso 0 dist 8.5865 9.8294 7.71372 13.2858 10.4473 5.66319 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.93939 6.04163 4.60412 7.90858 8.44279 4.24428 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.28353 8.25679 5.35188 4.95052 11.4147 9.25163 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.61918 6.53153 6.55423 7.75063 10.0537 9.89098 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.61918 8.29673 13.1011 10.0451 17.8578 7.15203 numMergedOcc 0
5 mol 140 unq 0 iso 0 dist 9.16949 6.40792 9.7827 6.79553 13.3785 8.36882 numMergedOcc 0
6 mol 140 unq 1 iso 0 dist 8.65294 6.40792 5.80354 6.79553 12.0417 8.36882 numMergedOcc 0
7 mol 174 unq 0 iso 0 dist 8.36618 6.90813 4.69892 5.94137 9.10995 4.93781 numMergedOcc 0
8 mol 174 unq 1 iso 0 dist 8.36618 6.90813 4.69892 11.0982 13.805 9.32818 numMergedOcc 0
9 mol 174 unq 2 iso 0 dist 8.36618 6.90813 4.69892 9.60153 8.16228 7.03029 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 7.90753 8.80581 5.32364 7.11843 9.40718 9.63295 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.83024 5.5581 6.21569 6.98526 11.5167 9.14819 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 5.89811 7.86668 5.4508 12.3207 10.7017 8.07523 numMergedOcc 0
13 mol 210 unq 1 iso 0 dist 5.89811 7.86668 5.4508 12.2935 11.9511 7.56882 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 6.10085 7.52229 8.71371 10.9243 14.5269 9.90668 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 7.61854 5.99137 7.45579 11.7831 8.63249 6.36941 numMergedOcc 0
16 mol 240 unq 0 iso 0 dist 8.24704 7.0935 5.36005 11.5359 10.5367 6.01168 numMergedOcc 0
17 mol 240 unq 1 iso 0 dist 8.24704 7.0935 5.36005 7.11628 7.19218 6.83069 numMergedOcc 0
18 mol 240 unq 2 iso 0 dist 8.24704 7.12912 4.4564 11.5359 10.5367 7.72928 numMergedOcc 0
19 mol 240 unq 3 iso 0 dist 8.24704 7.12912 4.4564 7.11628 7.19218 9.30995 numMergedOcc 0
20 mol 241 unq 0 iso 0 dist 5.42605 8.18588 7.3737 6.5604 7.26758 6.40592 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 7.87577 5.31858 5.90131 4.18036 11.866 7.9357 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 7.87577 5.31858 5.90131 4.69752 8.10903 8.81059 numMergedOcc 0
23 mol 258 unq 2 iso 0 dist 7.87577 5.71851 9.68064 12.1477 17.7492 9.47519 numMergedOcc 0
24 mol 258 unq 3 iso 0 dist 7.87577 5.71851 9.68064 4.18036 11.866 5.79537 numMergedOcc 0
25 mol 258 unq 4 iso 0 dist 7.87577 5.71851 9.68064 4.69752 8.10903 9.12006 numMergedOcc 0
26 mol 258 unq 5 iso 0 dist 5.86702 5.31858 4.51422 4.18036 8.70193 7.9357 numMergedOcc 0
27 mol 258 unq 6 iso 0 dist 5.86702 5.31858 4.51422 4.69752 7.25618 8.81059 numMergedOcc 0
28 mol 258 unq 7 iso 0 dist 5.86702 5.71851 4.99997 12.1477 14.1931 9.47519 numMergedOcc 0
29 mol 258 unq 8 iso 0 dist 5.86702 5.71851 4.99997 4.18036 8.70193 5.79537 numMergedOcc 0
30 mol 258 unq 9 iso 0 dist 5.86702 5.71851 4.99997 4.69752 7.25618 9.12006 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 5.74302 6.68878 4.86901 8.9397 11.1109 9.43169 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 9.87771 7.63115 8.00087 7.34826 11.5899 5.17586 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 9.10723 7.63115 9.98703 7.34826 13.5992 5.17586 numMergedOcc 0
