0 mol 54 unq 0 iso 0 dist 4.38047 4.94741 5.7405 10.5895 9.17082 14.2744 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 6.66861 10.9658 9.95327 10.042 9.93096 13.3028 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 6.66861 8.71074 7.50825 10.042 9.93096 5.78969 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 6.72084 6.24438 9.95327 12.1572 9.93096 13.3028 numMergedOcc 0
4 mol 55 unq 3 iso 0 dist 6.72084 12.0589 7.50825 12.1572 9.93096 5.78969 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.07989 7.13073 6.34966 8.57904 6.74766 9.80391 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 9.77272 13.7884 6.34966 4.05011 6.74766 9.80391 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.11127 7.18999 8.66742 9.3668 5.50508 5.97684 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.37888 4.90255 8.66742 4.00884 5.50508 5.97684 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 7.11438 9.84923 8.66742 4.1125 5.50508 5.97684 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.4518 12.7865 8.0955 14.4094 8.89417 5.15472 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.4518 12.7865 8.0955 9.73718 9.95255 9.30737 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 5.42828 8.86411 9.69961 6.62328 7.80873 9.59885 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 8.27794 5.80915 7.78223 14.0508 8.42878 9.76297 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 7.6005 5.17486 6.63731 10.5065 8.38606 10.0162 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 8.7583 6.28627 6.63731 14.2962 8.38606 10.0162 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.4733 9.73554 6.13508 5.73999 7.20249 5.01597 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.58256 12.9239 9.53805 5.98598 6.21159 8.03698 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.32097 10.9196 9.32649 6.5238 9.73541 7.31769 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 9.79381 4.73362 6.6069 9.51443 8.37739 5.32064 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 9.79381 4.73362 6.6069 9.52516 9.47237 6.76978 numMergedOcc 0
21 mol 225 unq 2 iso 0 dist 8.37379 6.31615 6.6069 11.2979 8.37739 5.32064 numMergedOcc 0
22 mol 225 unq 3 iso 0 dist 8.37379 6.31615 6.6069 11.0488 9.47237 6.76978 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 7.04477 5.02367 9.61639 11.378 5.70795 13.4246 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.41148 8.30148 9.92671 6.36084 9.78181 13.2481 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 7.83422 8.47021 6.23146 6.36084 9.8664 13.2043 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 8.42502 6.26246 5.62039 3.96327 8.10254 8.50643 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 6.58109 5.34664 4.68783 6.02223 5.9627 4.30062 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 5.66817 4.29865 7.40057 7.4144 6.33496 10.7996 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 5.66817 4.29865 7.40057 3.86625 6.00636 6.82173 numMergedOcc 0
30 mol 256 unq 2 iso 0 dist 5.66817 4.29865 7.40057 11.0891 7.81448 14.0229 numMergedOcc 0
31 mol 256 unq 3 iso 0 dist 5.66817 4.29865 7.40057 11.854 8.54499 15.2736 numMergedOcc 0
