0 mol 18 unq 0 iso 0 dist 8.2056 6.41856 7.37821 8.51213 4.25207 10.1903 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.2056 8.51213 4.25207 6.41856 7.37821 10.1903 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 6.46781 11.1811 5.64331 numMergedOcc 0
3 mol 38 unq 0 iso 1 dist 9.49676 6.46781 11.1811 9.70612 16.3301 5.64331 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 9.49676 9.70612 16.3301 8.19077 5.79134 12.0651 numMergedOcc 0
5 mol 38 unq 1 iso 1 dist 9.49676 8.19077 5.79134 9.70612 16.3301 12.0651 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 9.49676 6.46781 11.1811 8.19077 5.79134 6.52757 numMergedOcc 0
7 mol 38 unq 1 iso 1 dist 9.49676 8.19077 5.79134 6.46781 11.1811 6.52757 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 8.47617 12.7554 5.06502 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 8.60396 8.47617 12.7554 8.99509 14.9742 5.06502 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.60396 8.99509 14.9742 5.73331 9.56289 5.89973 numMergedOcc 0
11 mol 43 unq 1 iso 1 dist 8.60396 5.73331 9.56289 8.99509 14.9742 5.89973 numMergedOcc 0
12 mol 43 unq 2 iso 0 dist 8.60396 8.99509 14.9742 8.48694 6.44102 11.1644 numMergedOcc 0
13 mol 43 unq 2 iso 1 dist 8.60396 8.48694 6.44102 8.99509 14.9742 11.1644 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 8.60396 8.47617 12.7554 5.73331 9.56289 6.45462 numMergedOcc 0
15 mol 43 unq 1 iso 1 dist 8.60396 5.73331 9.56289 8.47617 12.7554 6.45462 numMergedOcc 0
16 mol 43 unq 2 iso 0 dist 8.60396 8.47617 12.7554 8.48694 6.44102 10.5986 numMergedOcc 0
17 mol 43 unq 2 iso 1 dist 8.60396 8.48694 6.44102 8.47617 12.7554 10.5986 numMergedOcc 0
18 mol 43 unq 2 iso 0 dist 8.60396 5.73331 9.56289 8.48694 6.44102 5.46146 numMergedOcc 0
19 mol 43 unq 2 iso 1 dist 8.60396 8.48694 6.44102 5.73331 9.56289 5.46146 numMergedOcc 0
20 mol 62 unq 0 iso 0 dist 7.92027 6.56664 4.47138 9.58156 10.9596 8.62608 numMergedOcc 0
21 mol 62 unq 0 iso 1 dist 7.92027 9.58156 10.9596 6.56664 4.47138 8.62608 numMergedOcc 0
22 mol 62 unq 1 iso 0 dist 6.08756 7.99003 4.47138 9.52036 4.16095 5.80772 numMergedOcc 0
23 mol 62 unq 1 iso 1 dist 6.08756 9.52036 4.16095 7.99003 4.47138 5.80772 numMergedOcc 0
24 mol 110 unq 0 iso 0 dist 8.36172 7.2461 6.16247 9.26333 5.92996 4.86119 numMergedOcc 0
25 mol 110 unq 0 iso 1 dist 8.36172 9.26333 5.92996 7.2461 6.16247 4.86119 numMergedOcc 0
26 mol 146 unq 0 iso 0 dist 5.3184 8.53451 4.78114 7.24965 5.44003 6.28062 numMergedOcc 0
27 mol 146 unq 0 iso 1 dist 5.3184 7.24965 5.44003 8.53451 4.78114 6.28062 numMergedOcc 0
28 mol 147 unq 0 iso 0 dist 8.93916 7.4653 8.95179 7.95564 11.4531 7.63992 numMergedOcc 0
29 mol 147 unq 0 iso 1 dist 8.93916 7.95564 11.4531 7.4653 8.95179 7.63992 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 8.30966 9.37459 14.6591 9.0847 12.2051 5.42328 numMergedOcc 0
31 mol 152 unq 0 iso 1 dist 8.30966 9.0847 12.2051 9.37459 14.6591 5.42328 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 8.30966 9.37459 14.6591 6.00061 9.67332 5.54906 numMergedOcc 0
33 mol 152 unq 1 iso 1 dist 8.30966 6.00061 9.67332 9.37459 14.6591 5.54906 numMergedOcc 0
34 mol 152 unq 2 iso 0 dist 8.30966 9.37459 14.6591 8.33302 6.18791 10.9968 numMergedOcc 0
35 mol 152 unq 2 iso 1 dist 8.30966 8.33302 6.18791 9.37459 14.6591 10.9968 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.30966 9.0847 12.2051 6.00061 9.67332 6.4896 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.30966 6.00061 9.67332 9.0847 12.2051 6.4896 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 8.30966 9.0847 12.2051 8.33302 6.18791 10.2431 numMergedOcc 0
39 mol 152 unq 2 iso 1 dist 8.30966 8.33302 6.18791 9.0847 12.2051 10.2431 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 8.30966 6.00061 9.67332 8.33302 6.18791 5.68553 numMergedOcc 0
41 mol 152 unq 2 iso 1 dist 8.30966 8.33302 6.18791 6.00061 9.67332 5.68553 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 7.15963 13.2985 11.9017 numMergedOcc 0
43 mol 181 unq 0 iso 1 dist 8.94464 7.15963 13.2985 9.50454 9.32503 11.9017 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 8.63713 9.50454 8.88398 7.15963 4.98009 11.9017 numMergedOcc 0
45 mol 181 unq 1 iso 1 dist 8.63713 7.15963 4.98009 9.50454 8.88398 11.9017 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 7.45384 8.84116 5.40899 8.16369 4.94882 7.03008 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 7.45384 8.16369 4.94882 8.84116 5.40899 7.03008 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 5.71851 12.3042 5.30627 numMergedOcc 0
49 mol 258 unq 0 iso 1 dist 8.62592 5.71851 12.3042 5.31858 7.52881 5.30627 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 6.20344 9.79538 4.69778 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 8.93002 6.20344 9.79538 5.29682 6.64729 4.69778 numMergedOcc 0
52 mol 265 unq 0 iso 0 dist 6.98451 8.59825 5.75478 7.83102 9.74462 9.87519 numMergedOcc 0
53 mol 265 unq 0 iso 1 dist 6.98451 7.83102 9.74462 8.59825 5.75478 9.87519 numMergedOcc 0
