0 mol 1 unq 0 iso 0 dist 8.47429 9.40282 6.25854 9.35554 14.6429 13.3466 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 8.47429 9.35554 14.6429 9.40282 6.25854 13.3466 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 7.53929 9.31285 11.5093 8.66947 10.8758 12.04 numMergedOcc 0
3 mol 4 unq 0 iso 1 dist 7.53929 8.66947 10.8758 9.31285 11.5093 12.04 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 9.4649 8.81762 7.29441 5.32149 10.4194 7.14832 numMergedOcc 0
5 mol 18 unq 0 iso 1 dist 9.4649 5.32149 10.4194 8.81762 7.29441 7.14832 numMergedOcc 0
6 mol 18 unq 1 iso 0 dist 6.45965 8.81762 8.32004 5.32149 6.47139 7.14832 numMergedOcc 0
7 mol 18 unq 1 iso 1 dist 6.45965 5.32149 6.47139 8.81762 8.32004 7.14832 numMergedOcc 0
8 mol 18 unq 2 iso 0 dist 9.12848 9.2978 7.37821 7.37356 4.25207 10.1903 numMergedOcc 0
9 mol 18 unq 2 iso 1 dist 9.12848 7.37356 4.25207 9.2978 7.37821 10.1903 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.32868 9.96446 9.29076 6.70686 4.39652 5.04493 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 7.32868 6.70686 4.39652 9.96446 9.29076 5.04493 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.35364 7.90775 15.7022 8.49531 3.96825 14.3902 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 9.35364 8.49531 3.96825 7.90775 15.7022 14.3902 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 5.93206 9.23803 4.93112 8.05028 4.48038 6.94915 numMergedOcc 0
15 mol 109 unq 0 iso 1 dist 5.93206 8.05028 4.48038 9.23803 4.93112 6.94915 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 7.73529 9.23803 10.5733 8.05028 4.76017 6.94915 numMergedOcc 0
17 mol 109 unq 1 iso 1 dist 7.73529 8.05028 4.76017 9.23803 10.5733 6.94915 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 9.00172 12.7637 8.18495 numMergedOcc 0
19 mol 133 unq 0 iso 1 dist 6.26722 9.00172 12.7637 8.66715 12.7925 8.18495 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.49649 8.31276 15.5462 5.79157 6.36794 11.6064 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 8.49649 5.79157 6.36794 8.31276 15.5462 11.6064 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.49649 8.31276 15.5462 5.50687 5.73965 13.7309 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 8.49649 5.50687 5.73965 8.31276 15.5462 13.7309 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 8.49649 8.31276 15.5462 7.30919 11.0638 14.069 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 8.49649 7.30919 11.0638 8.31276 15.5462 14.069 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.49649 5.79157 6.36794 5.50687 5.73965 7.09823 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 8.49649 5.50687 5.73965 5.79157 6.36794 7.09823 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.49649 5.79157 6.36794 7.30919 11.0638 8.25185 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 8.49649 7.30919 11.0638 5.79157 6.36794 8.25185 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.49649 5.50687 5.73965 7.30919 11.0638 6.90348 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 8.49649 7.30919 11.0638 5.50687 5.73965 6.90348 numMergedOcc 0
32 mol 154 unq 0 iso 0 dist 9.71025 6.44195 5.88662 7.34207 12.461 9.41666 numMergedOcc 0
33 mol 154 unq 0 iso 1 dist 9.71025 7.34207 12.461 6.44195 5.88662 9.41666 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 9.08229 7.9895 12.473 6.53913 5.48405 9.36756 numMergedOcc 0
35 mol 167 unq 0 iso 1 dist 9.08229 6.53913 5.48405 7.9895 12.473 9.36756 numMergedOcc 0
36 mol 167 unq 1 iso 0 dist 7.99057 7.9895 8.28846 6.53913 10.8859 9.36756 numMergedOcc 0
37 mol 167 unq 1 iso 1 dist 7.99057 6.53913 10.8859 7.9895 8.28846 9.36756 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 6.28071 9.36732 9.8977 9.79271 4.59462 12.9389 numMergedOcc 0
39 mol 196 unq 0 iso 1 dist 6.28071 9.79271 4.59462 9.36732 9.8977 12.9389 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 8.22331 6.18446 7.56497 9.96544 5.66137 5.43601 numMergedOcc 0
41 mol 197 unq 0 iso 1 dist 8.22331 9.96544 5.66137 6.18446 7.56497 5.43601 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 6.54859 9.07222 4.71394 9.09998 6.97964 5.84541 numMergedOcc 0
43 mol 236 unq 0 iso 1 dist 6.54859 9.09998 6.97964 9.07222 4.71394 5.84541 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 9.45685 9.2067 11.716 9.16078 12.9218 5.30627 numMergedOcc 0
45 mol 258 unq 0 iso 1 dist 9.45685 9.16078 12.9218 9.2067 11.716 5.30627 numMergedOcc 0
