0 mol 44 unq 0 iso 0 dist 9.96265 5.12876 9.70459 8.17152 7.52117 10.0357 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 9.70459 5.12876 9.96265 10.0357 7.52117 8.17152 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 9.96265 6.85995 7.78905 8.17152 7.52117 7.37043 numMergedOcc 0
3 mol 44 unq 1 iso 1 dist 7.78905 6.85995 9.96265 7.37043 7.52117 8.17152 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 9.96265 11.3037 9.44909 8.17152 7.52117 6.36853 numMergedOcc 0
5 mol 44 unq 2 iso 1 dist 9.44909 11.3037 9.96265 6.36853 7.52117 8.17152 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 9.70459 4.19085 7.78905 10.0357 7.52117 7.37043 numMergedOcc 0
7 mol 44 unq 1 iso 1 dist 7.78905 4.19085 9.70459 7.37043 7.52117 10.0357 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 9.70459 10.2017 9.44909 10.0357 7.52117 6.36853 numMergedOcc 0
9 mol 44 unq 2 iso 1 dist 9.44909 10.2017 9.70459 6.36853 7.52117 10.0357 numMergedOcc 0
10 mol 44 unq 2 iso 0 dist 7.78905 6.10468 9.44909 7.37043 7.52117 6.36853 numMergedOcc 0
11 mol 44 unq 2 iso 1 dist 9.44909 6.10468 7.78905 6.36853 7.52117 7.37043 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.06168 11.1443 8.67532 9.33688 5.16364 13.4716 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 8.67532 11.1443 8.06168 13.4716 5.16364 9.33688 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.9747 4.24815 4.50572 8.89866 7.26086 7.87523 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 4.50572 4.24815 5.9747 7.87523 7.26086 8.89866 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 4.98864 5.11161 7.95871 5.01124 5.74857 7.39793 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 7.95871 5.11161 4.98864 7.39793 5.74857 5.01124 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.92932 6.22325 9.55556 8.2282 8.20836 4.02705 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 9.55556 6.22325 9.92932 4.02705 8.20836 8.2282 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 8.14096 11.1234 8.43038 4.90755 9.94125 10.8056 numMergedOcc 0
21 mol 167 unq 0 iso 1 dist 8.43038 11.1234 8.14096 10.8056 9.94125 4.90755 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 8.14096 13.0523 9.87966 4.90755 9.94125 13.8234 numMergedOcc 0
23 mol 167 unq 1 iso 1 dist 9.87966 13.0523 8.14096 13.8234 9.94125 4.90755 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 8.43038 3.81938 9.87966 10.8056 9.94125 13.8234 numMergedOcc 0
25 mol 167 unq 1 iso 1 dist 9.87966 3.81938 8.43038 13.8234 9.94125 10.8056 numMergedOcc 0
26 mol 180 unq 0 iso 0 dist 9.88732 5.33436 5.77949 12.4792 9.18528 8.4927 numMergedOcc 0
27 mol 180 unq 0 iso 1 dist 5.77949 5.33436 9.88732 8.4927 9.18528 12.4792 numMergedOcc 0
28 mol 180 unq 1 iso 0 dist 9.88732 6.10537 8.68403 12.4792 9.18528 11.4009 numMergedOcc 0
29 mol 180 unq 1 iso 1 dist 8.68403 6.10537 9.88732 11.4009 9.18528 12.4792 numMergedOcc 0
30 mol 180 unq 2 iso 0 dist 9.88732 12.986 5.80441 12.4792 9.18528 5.05257 numMergedOcc 0
31 mol 180 unq 2 iso 1 dist 5.80441 12.986 9.88732 5.05257 9.18528 12.4792 numMergedOcc 0
32 mol 180 unq 1 iso 0 dist 5.77949 3.984 8.68403 8.4927 9.18528 11.4009 numMergedOcc 0
33 mol 180 unq 1 iso 1 dist 8.68403 3.984 5.77949 11.4009 9.18528 8.4927 numMergedOcc 0
34 mol 180 unq 2 iso 0 dist 5.77949 8.49238 5.80441 8.4927 9.18528 5.05257 numMergedOcc 0
35 mol 180 unq 2 iso 1 dist 5.80441 8.49238 5.77949 5.05257 9.18528 8.4927 numMergedOcc 0
36 mol 180 unq 2 iso 0 dist 8.68403 11.8501 5.80441 11.4009 9.18528 5.05257 numMergedOcc 0
37 mol 180 unq 2 iso 1 dist 5.80441 11.8501 8.68403 5.05257 9.18528 11.4009 numMergedOcc 0
38 mol 212 unq 0 iso 0 dist 5.87223 9.449 8.062 6.8255 6.29767 11.009 numMergedOcc 0
39 mol 212 unq 0 iso 1 dist 8.062 9.449 5.87223 11.009 6.29767 6.8255 numMergedOcc 0
40 mol 212 unq 1 iso 0 dist 5.87223 9.449 8.062 8.90296 8.74585 12.2246 numMergedOcc 0
41 mol 212 unq 1 iso 1 dist 8.062 9.449 5.87223 12.2246 8.74585 8.90296 numMergedOcc 0
42 mol 212 unq 2 iso 0 dist 5.87223 5.23375 8.70011 6.8255 6.29767 8.66123 numMergedOcc 0
43 mol 212 unq 2 iso 1 dist 8.70011 5.23375 5.87223 8.66123 6.29767 6.8255 numMergedOcc 0
44 mol 212 unq 3 iso 0 dist 5.87223 5.23375 8.70011 8.90296 8.74585 12.2545 numMergedOcc 0
45 mol 212 unq 3 iso 1 dist 8.70011 5.23375 5.87223 12.2545 8.74585 8.90296 numMergedOcc 0
46 mol 212 unq 2 iso 0 dist 8.062 7.17541 8.70011 11.009 6.29767 8.66123 numMergedOcc 0
47 mol 212 unq 2 iso 1 dist 8.70011 7.17541 8.062 8.66123 6.29767 11.009 numMergedOcc 0
48 mol 212 unq 3 iso 0 dist 8.062 7.17541 8.70011 12.2246 8.74585 12.2545 numMergedOcc 0
49 mol 212 unq 3 iso 1 dist 8.70011 7.17541 8.062 12.2545 8.74585 12.2246 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 9.51764 13.4632 5.36829 10.5029 6.38157 8.38755 numMergedOcc 0
51 mol 214 unq 0 iso 1 dist 5.36829 13.4632 9.51764 8.38755 6.38157 10.5029 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 7.46434 14.7028 7.50424 11.2204 9.007 11.6788 numMergedOcc 0
53 mol 234 unq 0 iso 1 dist 7.50424 14.7028 7.46434 11.6788 9.007 11.2204 numMergedOcc 0
54 mol 253 unq 0 iso 0 dist 5.89502 7.05365 7.15815 5.73565 7.77998 9.82329 numMergedOcc 0
55 mol 253 unq 0 iso 1 dist 7.15815 7.05365 5.89502 9.82329 7.77998 5.73565 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 9.77689 13.7559 8.51931 9.41779 6.57903 12.4389 numMergedOcc 0
57 mol 277 unq 0 iso 1 dist 8.51931 13.7559 9.77689 12.4389 6.57903 9.41779 numMergedOcc 0
