0 mol 9 unq 0 iso 0 dist 8.04924 9.57198 7.28672 6.81435 5.55437 8.076 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 7.54496 9.56752 6.44963 10.2107 7.51138 13.6641 numMergedOcc 0
2 mol 90 unq 1 iso 0 dist 7.54496 9.56752 6.44963 10.6903 9.86843 15.5433 numMergedOcc 0
3 mol 90 unq 2 iso 0 dist 7.54496 9.56752 6.44963 10.968 6.86146 12.2244 numMergedOcc 0
4 mol 90 unq 3 iso 0 dist 7.54496 9.56752 6.44963 5.69605 8.83296 10.9983 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.30176 6.95465 9.01596 4.94804 7.39754 10.9559 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.30176 6.95465 9.01596 4.76302 9.01011 7.39179 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 7.20953 5.03173 4.22355 6.14305 8.44437 7.09806 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.9928 5.60389 9.18958 6.03931 8.71286 8.85881 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 5.85818 7.26955 11.7884 8.96522 8.03035 16.0882 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 6.40901 9.30424 5.99865 7.12863 5.73236 6.95372 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 7.04913 7.30946 8.40261 6.6213 4.9941 10.6589 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.59034 9.84492 6.71237 8.37278 7.23293 12.1418 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 7.94747 7.60625 6.03632 5.91268 5.44396 7.8141 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 9.77862 9.3402 7.50057 12.0339 5.52678 12.6186 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 9.77862 9.3402 7.50057 18.7006 9.81666 15.8032 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.29542 7.73748 6.59663 7.13893 6.53728 8.20162 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 7.1372 7.57454 4.59123 5.92529 9.56257 12.135 numMergedOcc 0
18 mol 237 unq 0 iso 0 dist 7.33613 9.27395 5.90415 8.97735 7.63812 5.6703 numMergedOcc 0
19 mol 237 unq 1 iso 0 dist 7.33613 9.27395 5.90415 10.415 8.51129 10.9011 numMergedOcc 0
20 mol 237 unq 2 iso 0 dist 7.33613 7.55103 9.2471 8.97735 7.63812 8.72819 numMergedOcc 0
21 mol 237 unq 3 iso 0 dist 7.33613 7.55103 9.2471 10.415 8.51129 14.1796 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.42618 8.81629 6.84212 18.0054 9.89583 16.4277 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.42618 6.87131 4.77308 18.0054 9.89583 14.4327 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 9.42618 9.69818 10.2777 18.0054 9.89583 18.559 numMergedOcc 0
