0 mol 7 unq 0 iso 0 dist 8.75465 8.00249 4.80709 5.8785 8.36111 5.99898 15.0884 9.87885 14.1836 17.4437 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 8.00249 4.80709 5.8785 8.36111 5.99898 6.3236 6.1206 7.67927 5.77391 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 8.75465 4.80709 5.8785 5.99898 8.36111 6.3236 7.67927 6.1206 5.77391 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.00249 8.75465 4.80709 5.71606 7.2834 10.7311 6.3236 7.67927 6.1206 10.3415 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 9.64715 6.74197 12.3653 15.3018 9.64383 14.0897 12.31 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 9.64715 6.74197 12.3653 9.41666 7.54889 5.2571 11.0642 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.91797 6.37954 6.70343 9.64715 6.74197 12.3653 9.57791 7.78931 8.7497 7.71768 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 8.09403 8.33147 5.33725 9.23342 9.07247 10.424 4.59843 5.96423 8.97589 7.25468 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.00537 6.04336 7.15345 13.8548 7.12029 13.9003 11.4985 8.90571 14.0048 6.94867 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 9.00537 6.04336 7.15345 13.8548 7.12029 13.9003 9.40374 6.61112 10.8806 5.77884 numMergedOcc 0
10 mol 207 unq 0 iso 0 dist 7.25953 9.05688 6.07936 11.2345 8.01415 8.25861 5.6688 5.12567 6.0563 5.62653 numMergedOcc 0
11 mol 207 unq 1 iso 0 dist 9.05688 7.25953 6.07936 11.3486 9.3 13.693 10.6526 9.98372 10.4761 10.0122 numMergedOcc 0
12 mol 207 unq 2 iso 0 dist 9.05688 7.25953 6.07936 11.3486 9.3 13.693 5.6688 6.0563 5.12567 9.87241 numMergedOcc 0
13 mol 207 unq 3 iso 0 dist 9.05688 7.25953 6.07936 11.2345 8.25861 8.01415 10.6526 9.98372 10.4761 4.4545 numMergedOcc 0
14 mol 207 unq 4 iso 0 dist 9.05688 7.25953 6.07936 11.2345 8.25861 8.01415 5.6688 6.0563 5.12567 5.62653 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 9.41353 8.28155 6.12994 5.68697 6.72624 4.92885 5.33123 9.62437 9.70417 4.92005 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 10.0079 8.51427 11.6182 4.81906 5.56538 7.48954 5.60111 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 5.46817 5.78671 4.09189 5.85313 5.54003 8.48003 5.8297 8.67156 10.5333 7.95216 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 5.46817 6.56525 6.67199 5.85313 5.54003 10.4009 5.8297 8.67156 7.10671 7.95216 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.61255 7.64703 13.5848 5.67354 9.40401 13.1282 7.62102 9.30212 6.4611 11.1036 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.61255 7.64703 13.5848 7.47139 5.64169 13.5288 7.62102 9.30212 6.4611 11.5127 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.26637 9.88022 12.3271 8.45752 8.76604 13.282 6.07975 7.24366 14.8033 5.85038 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 7.26637 9.88198 13.095 8.45752 8.76604 15.8219 6.07975 7.24366 10.2562 5.85038 numMergedOcc 0
