0 mol 11 unq 0 iso 0 dist 6.89666 6.09937 7.28643 4.73237 4.61088 8.68293 9.94905 9.68636 14.8738 6.84216 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 13.2653 5.54419 8.23075 13.2236 8.03955 6.0925 4.7841 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.88695 7.89667 8.39015 5.3315 8.34347 8.31381 11.2671 12.5438 6.92384 7.98005 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 5.22543 6.67863 6.2696 4.50603 6.57035 10.7342 10.7133 7.89838 12.9255 9.23765 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 4.36935 5.86073 9.59585 12.94 12.5818 9.78508 9.7073 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 7.04864 8.03124 3.35803 6.81949 6.44653 8.38358 11.0505 5.61274 5.26524 7.53694 numMergedOcc 0
6 mol 180 unq 0 iso 0 dist 9.88732 6.53993 9.89998 6.54937 9.62337 11.5859 7.58661 4.38407 5.64829 9.63576 numMergedOcc 0
7 mol 180 unq 1 iso 0 dist 5.77949 8.4285 9.89998 6.91082 9.62337 11.5859 5.81023 4.38407 5.64829 9.63576 numMergedOcc 0
8 mol 180 unq 2 iso 0 dist 8.68403 8.39019 9.89998 10.1423 9.62337 11.5859 7.80553 4.38407 5.64829 9.63576 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 8.62103 9.49242 9.97638 3.84723 6.18308 11.1783 9.25184 4.29623 12.017 6.85824 numMergedOcc 0
10 mol 232 unq 0 iso 0 dist 9.29752 9.67243 5.61663 9.60401 8.27212 12.5802 11.6863 4.04428 7.07914 8.25985 numMergedOcc 0
11 mol 232 unq 1 iso 0 dist 9.29752 9.67243 5.61663 9.60401 8.27212 12.5802 12.0387 4.22149 9.26998 9.27788 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 6.42725 6.69951 5.97386 8.70769 5.30224 8.25897 9.9749 5.96249 4.6865 9.18798 numMergedOcc 0
13 mol 277 unq 0 iso 0 dist 9.29635 5.11998 7.75371 10.8075 9.7748 5.69112 5.79925 11.3546 3.75238 7.2091 numMergedOcc 0
14 mol 277 unq 1 iso 0 dist 9.29635 5.79925 11.3546 10.8075 9.7748 7.2091 5.11998 7.75371 3.75238 5.69112 numMergedOcc 0
