0 mol 21 unq 0 iso 0 dist 9.93488 12.8031 8.85347 11.415 4.964 8.07914 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.88429 10.7179 8.85347 12.0799 4.964 8.07914 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 11.7903 6.85331 16.9791 9.1927 7.69637 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 9.8294 13.2858 5.66319 17.2304 7.83082 8.37901 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.32453 8.29882 4.83274 9.76901 10.6009 7.48127 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.53153 7.75063 9.89098 15.7291 16.1558 8.8353 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 9.21386 11.596 8.58946 11.8563 4.70374 7.20545 numMergedOcc 0
7 mol 174 unq 0 iso 0 dist 6.90813 9.60153 7.03029 8.36618 4.69892 8.16228 numMergedOcc 0
8 mol 174 unq 1 iso 0 dist 6.90813 9.60153 7.03029 11.6613 4.99043 8.57467 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.50454 18.3782 9.63295 18.5124 9.40823 8.92801 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.50454 18.3782 9.63295 10.6164 5.32364 9.40718 numMergedOcc 0
11 mol 181 unq 2 iso 0 dist 8.80581 7.11843 9.63295 13.9262 9.40823 8.92801 numMergedOcc 0
12 mol 181 unq 3 iso 0 dist 8.80581 7.11843 9.63295 7.90753 5.32364 9.40718 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 7.52229 10.9243 9.90668 14.4367 8.92136 7.60302 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.93717 9.8378 7.30244 13.3858 12.2765 6.39087 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 6.93717 6.42589 9.58343 13.3858 12.2765 9.86144 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 9.23844 9.07015 9.85951 10.7964 5.55687 6.50756 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.99137 11.7831 6.36941 7.61854 7.45579 8.63249 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.92721 4.95913 9.27989 12.8564 13.3838 8.48545 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 7.0935 7.11628 6.83069 8.24704 5.36005 7.19218 numMergedOcc 0
20 mol 240 unq 1 iso 0 dist 7.12912 7.11628 9.30995 8.24704 4.4564 7.19218 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 8.18588 6.5604 6.40592 5.42605 7.3737 7.26758 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 5.31858 4.18036 7.9357 5.86702 4.51422 8.70193 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 5.31858 4.69752 8.81059 7.87577 5.90131 8.10903 numMergedOcc 0
24 mol 258 unq 2 iso 0 dist 5.31858 4.69752 8.81059 5.86702 4.51422 7.25618 numMergedOcc 0
25 mol 258 unq 3 iso 0 dist 5.71851 4.18036 5.79537 5.86702 4.99997 8.70193 numMergedOcc 0
26 mol 258 unq 4 iso 0 dist 5.71851 4.69752 9.12006 7.87577 9.68064 8.10903 numMergedOcc 0
27 mol 258 unq 5 iso 0 dist 5.71851 4.69752 9.12006 5.86702 4.99997 7.25618 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 6.68878 8.9397 9.43169 11.2165 7.78464 8.88741 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 9.0021 5.81468 9.26066 14.6232 18.1328 9.76967 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 9.12551 14.695 7.34344 22.0114 13.4636 7.74965 numMergedOcc 0
