0 mol 1 unq 0 iso 0 dist 8.47429 9.40282 6.25854 8.93702 9.45781 5.11735 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.47429 9.35554 14.6429 8.93702 9.45781 9.01967 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.4649 8.81762 7.29441 8.95573 10.3579 4.71158 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 9.4649 5.32149 10.4194 8.95573 10.3579 8.70343 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 6.45965 8.81762 8.32004 8.95573 5.867 4.71158 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 6.45965 5.32149 6.47139 8.95573 5.867 8.70343 numMergedOcc 0
6 mol 18 unq 4 iso 0 dist 9.12848 9.2978 7.37821 8.25905 4.49033 5.01478 numMergedOcc 0
7 mol 18 unq 5 iso 0 dist 9.12848 7.37356 4.25207 8.25905 4.49033 7.04695 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 5.20647 8.90473 9.75778 7.12852 9.73258 4.74747 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 5.83051 8.90473 7.87345 7.12852 6.46914 4.74747 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 9.12062 8.36524 15.5673 5.73257 10.7494 8.90278 numMergedOcc 0
11 mol 70 unq 0 iso 0 dist 9.2794 6.77833 5.51579 8.06918 11.9871 6.65811 numMergedOcc 0
12 mol 70 unq 1 iso 0 dist 9.2794 6.77833 5.51579 7.52623 9.5704 5.47516 numMergedOcc 0
13 mol 70 unq 2 iso 0 dist 9.2794 6.77833 5.51579 5.62294 10.9277 11.0952 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.32868 9.96446 9.29076 9.62702 4.47011 10.9381 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 7.32868 9.96446 9.29076 6.97484 11.9916 12.1976 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.32868 6.70686 4.39652 9.62702 4.47011 7.17408 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 7.32868 6.70686 4.39652 6.97484 11.9916 10.944 numMergedOcc 0
18 mol 94 unq 0 iso 0 dist 7.81363 8.01724 9.47607 5.80964 4.4432 8.20144 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 6.82522 8.07365 5.33325 6.47401 4.41983 8.73564 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 8.3907 8.47907 4.42285 9.55337 5.73775 5.41882 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 8.7347 7.02525 8.85684 6.35364 4.56139 5.15767 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 4.95674 4.49984 12.0863 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 6.26722 9.00172 12.7637 4.95674 4.49984 9.53782 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 5.63173 8.95433 5.36939 9.59094 6.2062 4.68409 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 8.49649 8.31276 15.5462 5.98435 11.5532 5.31077 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.49649 8.31276 15.5462 8.80672 14.5276 14.0644 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 8.49649 5.79157 6.36794 5.98435 11.5532 6.74887 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 8.49649 5.79157 6.36794 8.80672 14.5276 12.6989 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 8.49649 5.50687 5.73965 5.98435 11.5532 10.9715 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 8.49649 5.50687 5.73965 8.80672 14.5276 8.96357 numMergedOcc 0
31 mol 134 unq 6 iso 0 dist 8.49649 7.30919 11.0638 5.98435 11.5532 11.4638 numMergedOcc 0
32 mol 134 unq 7 iso 0 dist 8.49649 7.30919 11.0638 8.80672 14.5276 5.9915 numMergedOcc 0
33 mol 154 unq 0 iso 0 dist 9.71025 6.44195 5.88662 5.81632 6.28784 5.83431 numMergedOcc 0
34 mol 154 unq 1 iso 0 dist 9.71025 7.34207 12.461 5.81632 6.28784 6.53652 numMergedOcc 0
35 mol 167 unq 0 iso 0 dist 9.08229 7.9895 12.473 9.4422 10.9873 6.06723 numMergedOcc 0
36 mol 167 unq 1 iso 0 dist 9.08229 6.53913 5.48405 9.4422 10.9873 6.58937 numMergedOcc 0
37 mol 167 unq 2 iso 0 dist 7.99057 7.9895 8.28846 9.4422 12.2296 6.06723 numMergedOcc 0
38 mol 167 unq 3 iso 0 dist 7.99057 6.53913 10.8859 9.4422 12.2296 6.58937 numMergedOcc 0
39 mol 197 unq 0 iso 0 dist 8.22331 6.18446 7.56497 6.58245 4.40086 5.2908 numMergedOcc 0
40 mol 197 unq 1 iso 0 dist 8.22331 9.96544 5.66137 6.58245 4.40086 6.23998 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 8.95136 9.25882 10.6076 6.37411 15.2718 12.1001 numMergedOcc 0
42 mol 209 unq 0 iso 0 dist 6.3344 5.92907 4.1329 5.20111 4.45815 6.43758 numMergedOcc 0
43 mol 233 unq 0 iso 0 dist 4.91191 6.48196 6.52848 7.99897 5.3674 8.96098 numMergedOcc 0
44 mol 235 unq 0 iso 0 dist 6.91126 6.45574 6.84447 6.43838 5.85485 10.6981 numMergedOcc 0
45 mol 235 unq 1 iso 0 dist 6.91126 6.45574 6.84447 9.24964 14.9183 9.66021 numMergedOcc 0
46 mol 235 unq 2 iso 0 dist 9.48967 6.45574 7.38431 6.43838 15.6099 10.6981 numMergedOcc 0
47 mol 235 unq 3 iso 0 dist 9.48967 6.45574 7.38431 9.24964 4.28284 9.66021 numMergedOcc 0
48 mol 235 unq 4 iso 0 dist 6.43002 8.14407 7.38431 5.71896 4.28284 9.66021 numMergedOcc 0
49 mol 236 unq 0 iso 0 dist 6.54859 9.07222 4.71394 7.05868 4.52208 8.192 numMergedOcc 0
50 mol 236 unq 1 iso 0 dist 6.54859 9.09998 6.97964 7.05868 4.52208 6.90372 numMergedOcc 0
51 mol 248 unq 0 iso 0 dist 8.4908 7.40475 11.014 7.96942 8.23532 10.1857 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 6.58667 9.38793 4.84657 9.28545 13.5948 17.5025 numMergedOcc 0
53 mol 277 unq 1 iso 0 dist 6.01542 9.38793 13.791 9.28545 4.29127 17.5025 numMergedOcc 0
