0 mol 43 unq 0 iso 0 dist 9.72036 4.45291 8.25915 14.3492 9.02471 11.2139 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 4.95504 8.80404 9.61211 4.35132 5.51927 6.0871 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.27814 15.4847 9.22903 13.4816 9.01812 7.35568 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 7.59747 6.69022 9.45247 5.33778 9.10911 8.6616 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 8.51084 5.25493 8.48433 4.41283 9.06601 4.48869 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.01995 6.6767 6.30568 4.90674 5.78814 7.00572 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 8.94352 4.93601 8.62135 6.97147 6.73617 5.90364 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 7.00382 4.18399 8.51947 9.21913 9.65093 5.85613 numMergedOcc 0
8 mol 194 unq 0 iso 0 dist 4.42095 13.9253 9.60788 10.8182 9.38984 11.4293 numMergedOcc 0
9 mol 194 unq 1 iso 0 dist 4.42095 13.9253 9.60788 10.0354 9.91118 14.5507 numMergedOcc 0
10 mol 194 unq 2 iso 0 dist 4.63898 10.4232 9.60788 7.58286 9.38984 11.4293 numMergedOcc 0
11 mol 194 unq 3 iso 0 dist 4.63898 10.4232 9.60788 9.53373 9.91118 14.5507 numMergedOcc 0
12 mol 194 unq 4 iso 0 dist 9.53641 14.7844 9.60788 10.4127 9.38984 11.4293 numMergedOcc 0
13 mol 194 unq 5 iso 0 dist 9.53641 14.7844 9.60788 7.1015 9.91118 14.5507 numMergedOcc 0
14 mol 199 unq 0 iso 0 dist 9.72197 5.81963 7.49503 11.9773 8.72831 6.29819 numMergedOcc 0
15 mol 199 unq 1 iso 0 dist 9.72197 14.5282 9.2815 11.9773 8.72831 4.26752 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 5.2116 6.46939 6.71152 4.52914 8.55044 9.74925 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 4.98907 9.47962 9.33223 5.29393 8.03012 9.45618 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.43884 6.10072 7.66814 9.65978 9.29666 11.1633 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.32853 5.69575 8.23254 4.68199 6.09853 4.54581 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.15937 5.49483 7.89784 14.0055 9.96374 12.9146 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 9.15937 9.80915 7.83983 14.0055 9.96374 13.1936 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 7.58948 11.5833 7.75936 9.41638 8.88595 5.25596 numMergedOcc 0
