0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 6.09937 7.28643 8.68293 9.94905 9.68636 6.84216 14.8738 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 6.89666 4.73237 4.61088 9.94905 9.68636 6.84216 6.09937 7.28643 8.68293 14.8738 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 8.6586 6.7846 8.23075 13.2236 8.03955 4.7841 6.0925 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.54519 13.2653 5.54419 13.2236 8.03955 4.7841 8.6586 6.7846 8.23075 6.0925 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.88695 5.3315 8.34347 11.2671 12.5438 7.98005 7.89667 8.39015 8.31381 6.92384 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 6.88695 5.3315 8.34347 7.89667 8.39015 8.31381 11.2671 12.5438 7.98005 6.92384 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 9.86767 13.0914 9.59585 12.94 12.5818 9.7073 9.78508 numMergedOcc 0
7 mol 113 unq 0 iso 1 dist 8.89481 4.36935 5.86073 12.94 12.5818 9.7073 9.86767 13.0914 9.59585 9.78508 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 7.04864 6.81949 6.44653 11.0505 5.61274 7.53694 8.03124 3.35803 8.38358 5.26524 numMergedOcc 0
9 mol 120 unq 0 iso 1 dist 7.04864 6.81949 6.44653 8.03124 3.35803 8.38358 11.0505 5.61274 7.53694 5.26524 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 13.884 12.7606 5.39356 12.5636 12.6193 9.92746 10.4915 numMergedOcc 0
11 mol 127 unq 0 iso 1 dist 9.42513 8.60326 9.30299 12.5636 12.6193 9.92746 13.884 12.7606 5.39356 10.4915 numMergedOcc 0
12 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 17.3809 17.7601 9.9868 13.9064 10.3815 7.3268 13.1222 numMergedOcc 0
13 mol 231 unq 0 iso 1 dist 8.01942 8.55683 8.40182 13.9064 10.3815 7.3268 17.3809 17.7601 9.9868 13.1222 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 11.6863 4.04428 8.25985 12.0387 4.22149 9.27788 6.61868 numMergedOcc 0
15 mol 232 unq 0 iso 1 dist 9.29752 9.60401 8.27212 12.0387 4.22149 9.27788 11.6863 4.04428 8.25985 6.61868 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 6.42725 8.70769 5.30224 9.9749 5.96249 9.18798 6.69951 5.97386 8.25897 4.6865 numMergedOcc 0
17 mol 259 unq 0 iso 1 dist 6.42725 8.70769 5.30224 6.69951 5.97386 8.25897 9.9749 5.96249 9.18798 4.6865 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 5.11998 7.75371 5.69112 5.79925 11.3546 7.2091 3.75238 numMergedOcc 0
19 mol 277 unq 0 iso 1 dist 9.29635 10.8075 9.7748 5.79925 11.3546 7.2091 5.11998 7.75371 5.69112 3.75238 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 11.1568 4.02751 6.69619 10.2196 5.99797 4.49592 3.75963 numMergedOcc 0
21 mol 292 unq 0 iso 1 dist 9.30668 8.04474 8.2734 10.2196 5.99797 4.49592 11.1568 4.02751 6.69619 3.75963 numMergedOcc 0
