0 mol 26 unq 0 iso 0 dist 9.03539 10.4631 7.22361 6.00253 6.99742 6.36636 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.50339 4.77336 7.22361 5.60099 6.99742 6.36636 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.11293 5.45932 7.70625 7.08162 8.50375 5.85737 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 8.11293 8.19237 6.01423 7.08162 8.50375 3.61653 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.36397 4.665 6.72712 4.65469 5.32369 3.87825 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.58062 5.47738 7.1539 4.65469 7.03417 9.04084 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 6.58062 4.665 5.39745 4.65469 7.03417 3.87825 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.81181 7.62766 5.79343 5.59011 7.93956 5.99273 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 9.88812 7.11876 6.49383 5.28688 6.28029 4.13755 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.10681 6.69013 4.25566 9.45125 6.50336 3.80087 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.10681 12.7134 7.31037 9.45125 6.50336 3.80763 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.54873 6.56225 7.13252 8.21964 7.61421 13.4378 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 8.94854 13.3182 7.10413 5.87373 8.49913 9.85068 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.90344 5.11183 8.90076 15.5133 8.71877 13.8952 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.90344 6.32646 6.62002 15.5133 8.71877 12.856 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.10967 5.41296 7.02079 7.79949 8.08777 5.88357 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 9.10967 11.9194 5.88802 7.79949 8.08777 9.24057 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 7.83632 9.68993 7.02079 5.3274 8.08777 5.88357 numMergedOcc 0
18 mol 239 unq 3 iso 0 dist 7.83632 6.75792 5.88802 5.3274 8.08777 9.24057 numMergedOcc 0
