0 mol 16 unq 0 iso 0 dist 6.21616 5.70228 7.65889 5.11248 5.94982 6.51133 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.21616 5.61445 6.42835 5.11248 5.94982 5.30082 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.95169 4.96681 9.48085 6.63966 6.53269 6.08585 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.95169 4.96681 9.48085 7.66414 9.81524 9.15781 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.95169 12.2441 9.49421 6.63966 6.53269 5.77929 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.95169 12.2441 9.49421 7.66414 9.81524 6.68639 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 6.03151 7.18614 9.9787 6.5207 5.43693 11.1395 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.96039 5.49132 6.72869 4.80291 7.46095 4.85247 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.96039 6.71804 9.85905 4.80291 7.46095 6.45686 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 9.78762 10.2292 8.23026 6.39948 8.77077 6.5901 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.74197 12.31 9.64383 8.83348 9.25444 18.5442 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 6.74197 12.31 9.64383 14.016 8.46823 16.4267 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 6.74197 11.0642 7.54889 8.83348 9.25444 9.85543 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 6.74197 11.0642 7.54889 14.016 8.46823 9.67482 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 6.74197 7.71768 7.78931 8.83348 9.25444 7.28361 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 6.74197 7.71768 7.78931 14.016 8.46823 12.0974 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.77418 6.95852 5.56994 5.54999 6.11407 5.76986 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 8.46972 10.1294 5.51197 5.85167 6.34626 4.92472 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 8.14405 7.92939 8.97626 5.52764 9.16358 5.50031 numMergedOcc 0
19 mol 155 unq 1 iso 0 dist 8.14405 7.92939 8.97626 11.0203 9.24038 6.89781 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 5.21801 7.26802 6.02086 7.27945 9.42807 12.9045 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.07247 7.25468 5.96423 4.84884 7.58375 8.08596 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 9.85404 16.7848 9.31526 9.96095 8.63279 9.73871 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 10.3328 8.43195 7.75656 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 5.88041 13.1803 8.08349 4.07416 5.05368 10.7174 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 5.88041 10.3321 9.78218 4.07416 5.05368 6.51732 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 5.31916 8.98459 6.99769 7.45491 9.25617 5.91654 numMergedOcc 0
27 mol 224 unq 3 iso 0 dist 5.31916 8.98459 6.99769 5.77278 9.05276 9.14278 numMergedOcc 0
28 mol 224 unq 4 iso 0 dist 5.31916 9.81806 8.79428 7.45491 9.25617 7.38836 numMergedOcc 0
29 mol 224 unq 5 iso 0 dist 5.31916 9.81806 8.79428 5.77278 9.05276 12.4832 numMergedOcc 0
30 mol 224 unq 6 iso 0 dist 5.31916 5.99647 6.8692 7.45491 9.25617 10.6079 numMergedOcc 0
31 mol 224 unq 7 iso 0 dist 5.31916 5.99647 6.8692 5.77278 9.05276 11.5752 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 6.50932 14.2513 8.19317 12.9973 8.97952 6.82855 numMergedOcc 0
33 mol 235 unq 1 iso 0 dist 6.50932 8.38435 5.1823 12.9973 8.97952 6.46722 numMergedOcc 0
34 mol 267 unq 0 iso 0 dist 9.5358 12.758 8.8293 5.40977 6.27154 9.14203 numMergedOcc 0
35 mol 267 unq 1 iso 0 dist 9.5358 13.5233 7.34981 5.40977 6.27154 8.37094 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 8.28809 6.69098 9.59325 5.63899 6.35532 4.60101 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 9.40401 11.1036 9.30212 7.42475 7.77765 9.5468 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 5.64169 11.5127 9.30212 4.48276 7.77765 9.5468 numMergedOcc 0
