0 mol 63 unq 0 iso 0 dist 7.89201 4.55823 7.07849 5.9644 5.44629 8.34374 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 9.73488 7.79978 6.17181 13.31 3.7823 8.83659 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.71103 7.96805 7.62846 5.69384 3.51719 7.52634 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.98121 7.25431 7.02558 12.4985 11.1757 6.24063 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 6.98121 6.04275 8.81183 10.9556 13.3322 9.51347 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 6.46069 10.5433 7.84262 16.9596 15.7154 7.96745 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 6.46069 10.5433 7.84262 11.779 12.7432 9.71442 numMergedOcc 0
7 mol 108 unq 2 iso 0 dist 6.46069 10.5433 7.84262 19.0346 14.5857 8.99379 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.44788 4.46648 9.40633 6.1835 6.40944 9.09364 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 6.60739 5.13979 8.9755 5.06687 6.41267 5.29515 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 9.22427 5.13979 6.58752 5.06687 6.8578 5.29515 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 6.71763 5.23046 9.06573 5.09809 6.48054 5.16917 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 9.32504 5.23046 6.62442 5.09809 6.83178 5.16917 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 7.38821 5.24909 9.59741 8.84125 4.76844 9.99089 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.71223 9.45075 8.43722 15.638 8.13761 9.05979 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 8.43067 11.5712 6.75578 17.5369 14.3627 7.66693 numMergedOcc 0
16 mol 257 unq 1 iso 0 dist 7.6127 9.42674 6.75578 15.5238 14.3627 7.66693 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 8.78928 15.5875 7.97117 15.8682 7.32607 7.87371 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 8.78928 15.5875 7.97117 17.2378 9.28683 7.65649 numMergedOcc 0
19 mol 273 unq 2 iso 0 dist 9.12505 9.199 7.70185 16.5624 10.7398 7.87371 numMergedOcc 0
20 mol 273 unq 3 iso 0 dist 9.12505 9.199 7.70185 15.0202 9.16049 7.65649 numMergedOcc 0
