0 mol 98 unq 0 iso 0 dist 4.3761 9.58693 8.91618 9.66226 11.2155 19.0994 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 4.3761 9.48388 12.3835 9.66226 11.2155 7.28361 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 5.84583 9.58693 12.9994 9.66226 9.51607 19.0994 numMergedOcc 0
3 mol 98 unq 3 iso 0 dist 5.84583 9.48388 4.96747 9.66226 9.51607 7.28361 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.08937 7.02792 3.9675 8.11279 4.86724 4.97045 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 8.8763 8.26309 9.45824 6.37224 4.1431 6.23728 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.04398 9.80191 4.38811 5.7085 9.59657 8.86193 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 4.76012 6.1421 6.43966 7.98622 4.92611 4.92472 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.34149 9.45717 14.5572 8.21272 5.21047 17.6269 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.63279 9.45717 16.553 8.21272 5.73901 17.6269 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.94007 9.11046 6.91778 5.53183 7.38323 8.93262 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.80094 7.53748 13.1236 8.80059 16.5533 7.32989 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 9.03681 7.53748 9.8022 8.80059 9.91815 7.32989 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 8.30819 8.68992 10.5731 6.08141 4.98945 5.90026 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 8.91036 9.72828 10.8336 7.3879 7.6477 5.27321 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 8.91036 9.72828 10.8336 9.70728 5.04427 8.07089 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.37765 6.20985 4.94882 9.56023 6.24225 8.98536 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.15743 6.94983 9.60401 8.70651 6.36084 4.9377 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 8.73545 4.94074 6.52848 5.83278 11.4985 5.01307 numMergedOcc 0
19 mol 233 unq 1 iso 0 dist 8.14581 4.94074 5.51 5.83278 5.74726 5.01307 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 5.67249 8.58958 10.3064 8.88567 6.06471 15.6307 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 5.67249 8.58958 10.3064 9.45787 11.1213 13.8349 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 5.67249 7.17987 6.50055 8.88567 6.06471 10.998 numMergedOcc 0
23 mol 234 unq 3 iso 0 dist 5.67249 7.17987 6.50055 9.45787 11.1213 10.0059 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 6.84909 6.02089 9.83514 5.54272 6.08322 4.95054 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 6.84909 6.87804 8.04474 5.54272 6.08322 8.83082 numMergedOcc 0
