0 mol 19 unq 0 iso 0 dist 6.8824 8.75001 4.51869 7.78708 5.3957 5.18509 4.55916 9.50382 12.3973 11.8366 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.8824 8.75001 4.51869 7.84393 10.38 12.48 4.55916 9.50382 12.3973 10.1088 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.66272 9.53081 10.9256 5.36645 10.8186 12.299 13.2371 8.28883 11.4224 17.3953 numMergedOcc 0
3 mol 132 unq 0 iso 0 dist 7.73306 6.94745 8.91031 6.495 11.6877 5.28089 5.6296 8.15549 10.1299 11.5642 numMergedOcc 0
4 mol 132 unq 1 iso 0 dist 7.73306 6.94745 8.91031 9.43748 11.8999 4.50065 5.6296 8.15549 10.1299 13.9285 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.4963 8.8353 5.25819 9.89098 11.9436 16.1558 7.52391 7.96689 11.8747 9.48243 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.4963 8.8353 5.25819 9.89098 11.9436 16.1558 11.7196 4.83134 8.84494 13.7358 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.54607 9.23104 7.21249 5.97805 7.50335 4.80228 16.2835 9.07294 15.2961 16.5644 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 8.08807 8.76088 8.17831 8.96061 12.058 8.99025 13.0543 7.96689 6.00667 13.0251 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 8.08807 8.76088 8.17831 8.96061 12.058 8.99025 8.08082 4.83134 8.00919 14.1445 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.9183 5.40826 6.57809 7.5984 6.3915 9.02772 9.74045 6.68364 12.8467 9.32441 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 8.22267 8.27913 9.4786 9.36307 4.85077 8.27268 4.39505 8.94671 8.63031 7.86625 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.87204 8.46819 5.00539 8.93307 8.3331 4.37376 12.085 8.39345 12.1501 16.0612 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.21649 9.42047 9.10202 7.0119 7.20088 4.1887 7.54538 4.51269 12.4229 10.1373 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 8.21649 9.42047 9.10202 7.0119 7.20088 4.1887 4.85877 7.65323 8.75124 8.31638 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 6.45234 6.39087 5.9596 7.30244 8.70715 12.2765 11.8854 9.17355 12.8507 8.48112 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 6.45234 6.39087 5.9596 7.29796 10.898 13.2427 11.8854 9.17355 12.8507 14.9294 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 9.03969 6.97426 12.4791 9.94212 10.6103 15.9255 6.5658 7.57564 11.4192 12.0329 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 9.03969 6.97426 12.4791 7.34316 4.21803 8.64175 6.5658 7.57564 11.4192 7.82697 numMergedOcc 0
19 mol 223 unq 2 iso 0 dist 9.03969 8.87456 16.4578 9.94212 10.6103 17.7343 6.5658 7.57564 13.9012 12.0329 numMergedOcc 0
20 mol 223 unq 3 iso 0 dist 9.03969 8.87456 16.4578 7.34316 4.21803 12.9895 6.5658 7.57564 13.9012 7.82697 numMergedOcc 0
