0 mol 26 unq 0 iso 0 dist 5.20647 8.90473 9.75778 7.12852 9.73258 4.74747 4.9737 4.04528 5.81765 6.78223 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.83051 8.90473 7.87345 7.12852 6.46914 4.74747 4.9737 4.75209 5.81765 6.78223 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.12062 8.36524 15.5673 5.73257 10.7494 8.90278 7.66913 10.8394 7.86199 4.41248 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 9.2794 6.77833 5.51579 8.06918 11.9871 6.65811 6.13606 4.12515 4.36555 9.29381 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.2794 6.77833 5.51579 7.52623 9.5704 5.47516 6.13606 4.12515 4.36555 6.40963 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 9.2794 6.77833 5.51579 5.62294 10.9277 11.0952 6.13606 4.12515 4.36555 8.69313 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.32868 9.96446 9.29076 9.62702 4.47011 10.9381 6.15011 11.8069 8.70803 13.5159 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.32868 9.96446 9.29076 6.97484 11.9916 12.1976 6.15011 11.8069 8.70803 6.50817 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 7.32868 6.70686 4.39652 9.62702 4.47011 7.17408 6.15011 11.8069 8.87994 13.5159 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 7.32868 6.70686 4.39652 6.97484 11.9916 10.944 6.15011 11.8069 8.87994 6.50817 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 4.95674 4.49984 12.0863 9.29665 5.21047 17.3196 6.61001 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.26722 9.00172 12.7637 4.95674 4.49984 9.53782 9.29665 5.21047 16.1302 6.61001 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 9.71025 6.44195 5.88662 5.81632 6.28784 5.83431 8.85675 10.3128 10.0639 4.70993 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 9.71025 7.34207 12.461 5.81632 6.28784 6.53652 8.85675 10.3128 5.27847 4.70993 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.95136 9.25882 10.6076 6.37411 15.2718 12.1001 6.32542 4.8012 6.09749 11.9538 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 6.3344 5.92907 4.1329 5.20111 4.45815 6.43758 9.17634 7.34675 10.6456 4.68679 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 6.91126 6.45574 6.84447 6.43838 5.85485 10.6981 4.46919 3.93066 7.60081 4.29892 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 6.91126 6.45574 6.84447 9.24964 14.9183 9.66021 4.46919 3.93066 7.60081 13.128 numMergedOcc 0
18 mol 235 unq 2 iso 0 dist 9.48967 6.45574 7.38431 6.43838 15.6099 10.6981 4.46919 13.0408 7.60081 4.29892 numMergedOcc 0
19 mol 235 unq 3 iso 0 dist 9.48967 6.45574 7.38431 9.24964 4.28284 9.66021 4.46919 13.0408 7.60081 13.128 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.58667 9.38793 4.84657 9.28545 13.5948 17.5025 7.64361 13.7282 16.4697 5.7252 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.01542 9.38793 13.791 9.28545 4.29127 17.5025 7.64361 4.60075 16.4697 5.7252 numMergedOcc 0
