0 mol 14 unq 0 iso 0 dist 7.28563 8.51112 4.53725 12.3645 9.58196 9.04767 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 8.51112 7.28563 4.53725 12.3645 9.04767 9.58196 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.99509 8.47617 5.06502 8.14351 5.73819 6.20293 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.47617 8.99509 5.06502 8.14351 6.20293 5.73819 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.99509 5.73331 5.89973 8.14351 5.73819 8.93915 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 5.73331 8.99509 5.89973 8.14351 8.93915 5.73819 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.47617 5.73331 6.45462 8.14351 6.20293 8.93915 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 5.73331 8.47617 6.45462 8.14351 8.93915 6.20293 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.53153 6.29975 6.69554 5.78974 9.91388 9.52634 numMergedOcc 0
9 mol 133 unq 0 iso 1 dist 6.29975 6.53153 6.69554 5.78974 9.52634 9.91388 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.53153 8.29673 6.761 5.78974 9.91388 7.24514 numMergedOcc 0
11 mol 133 unq 1 iso 1 dist 8.29673 6.53153 6.761 5.78974 7.24514 9.91388 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 6.29975 8.29673 7.6656 5.78974 9.52634 7.24514 numMergedOcc 0
13 mol 133 unq 1 iso 1 dist 8.29673 6.29975 7.6656 5.78974 7.24514 9.52634 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.37459 9.0847 5.42328 8.41711 5.87555 6.70283 numMergedOcc 0
15 mol 152 unq 0 iso 1 dist 9.0847 9.37459 5.42328 8.41711 6.70283 5.87555 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.37459 9.0847 5.42328 4.82496 8.87437 7.16148 numMergedOcc 0
17 mol 152 unq 1 iso 1 dist 9.0847 9.37459 5.42328 4.82496 7.16148 8.87437 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 9.37459 6.00061 5.54906 8.41711 5.87555 8.67331 numMergedOcc 0
19 mol 152 unq 2 iso 1 dist 6.00061 9.37459 5.54906 8.41711 8.67331 5.87555 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 9.37459 6.00061 5.54906 4.82496 8.87437 8.05741 numMergedOcc 0
21 mol 152 unq 3 iso 1 dist 6.00061 9.37459 5.54906 4.82496 8.05741 8.87437 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 9.0847 6.00061 6.4896 8.41711 6.70283 8.67331 numMergedOcc 0
23 mol 152 unq 2 iso 1 dist 6.00061 9.0847 6.4896 8.41711 8.67331 6.70283 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 9.0847 6.00061 6.4896 4.82496 7.16148 8.05741 numMergedOcc 0
25 mol 152 unq 3 iso 1 dist 6.00061 9.0847 6.4896 4.82496 8.05741 7.16148 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 5.41229 8.57378 5.34677 4.51874 6.69288 6.43573 numMergedOcc 0
27 mol 178 unq 0 iso 1 dist 8.57378 5.41229 5.34677 4.51874 6.43573 6.69288 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 7.94694 7.51923 5.63422 5.1071 7.7366 9.774 numMergedOcc 0
29 mol 206 unq 0 iso 1 dist 7.51923 7.94694 5.63422 5.1071 9.774 7.7366 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 6.15754 8.9413 5.88703 12.4455 6.56247 9.45496 numMergedOcc 0
31 mol 234 unq 0 iso 1 dist 8.9413 6.15754 5.88703 12.4455 9.45496 6.56247 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 6.15754 8.9413 5.88703 14.0876 9.36357 6.7625 numMergedOcc 0
33 mol 234 unq 1 iso 1 dist 8.9413 6.15754 5.88703 14.0876 6.7625 9.36357 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 5.29682 6.20344 4.69778 5.56656 8.13497 7.88519 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 6.20344 5.29682 4.69778 5.56656 7.88519 8.13497 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 6.85589 6.68878 4.63549 4.31412 8.43057 6.05727 numMergedOcc 0
37 mol 261 unq 0 iso 1 dist 6.68878 6.85589 4.63549 4.31412 6.05727 8.43057 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 7.34596 7.12228 4.66602 4.36798 8.76532 6.33524 numMergedOcc 0
39 mol 282 unq 0 iso 1 dist 7.12228 7.34596 4.66602 4.36798 6.33524 8.76532 numMergedOcc 0
