0 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 12.1294 5.53425 9.7022 9.64431 4.53725 9.04767 5.67201 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 7.0208 10.5465 9.58196 9.64431 4.53725 9.04767 12.1294 5.53425 9.7022 5.67201 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.28563 12.3645 9.58196 12.5485 5.53425 9.7022 8.51112 4.53725 9.04767 5.67201 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 7.28563 12.3645 9.58196 8.51112 4.53725 9.04767 12.5485 5.53425 9.7022 5.67201 numMergedOcc 0
4 mol 14 unq 2 iso 0 dist 8.51112 12.3645 9.04767 12.5485 5.67201 9.7022 7.28563 4.53725 9.58196 5.53425 numMergedOcc 0
5 mol 14 unq 2 iso 1 dist 8.51112 12.3645 9.04767 7.28563 4.53725 9.58196 12.5485 5.67201 9.7022 5.53425 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 5.73331 5.89973 8.93915 6.45462 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 8.99509 8.14351 5.73819 5.73331 5.89973 8.93915 8.47617 5.06502 6.20293 6.45462 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 8.99509 5.06502 5.73819 5.73331 6.45462 8.93915 5.89973 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 8.47617 8.14351 6.20293 5.73331 6.45462 8.93915 8.99509 5.06502 5.73819 5.89973 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 5.73331 8.14351 8.93915 8.99509 5.89973 5.73819 8.47617 6.45462 6.20293 5.06502 numMergedOcc 0
11 mol 43 unq 2 iso 1 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 8.99509 5.89973 5.73819 5.06502 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 11.2215 5.47421 7.32874 14.5289 9.7274 9.55426 5.90225 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 7.66055 5.76106 6.81627 14.5289 9.7274 9.55426 11.2215 5.47421 7.32874 5.90225 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 8.46609 12.4802 6.43294 18.3818 10.1562 8.33063 13.7633 5.67502 8.7531 7.29309 numMergedOcc 0
15 mol 60 unq 0 iso 1 dist 8.46609 12.4802 6.43294 13.7633 5.67502 8.7531 18.3818 10.1562 8.33063 7.29309 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7388 6.87425 7.47541 11.7649 10.1164 7.66905 5.42586 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 11.7388 6.87425 7.47541 5.42586 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.11612 6.86762 5.83991 12.9567 10.8507 7.30858 11.7895 8.02349 7.88312 11.5723 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 12.9567 10.8507 7.30858 11.5723 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.53153 5.78974 9.91388 6.29975 6.69554 9.52634 8.29673 6.761 7.24514 7.6656 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 6.53153 5.78974 9.91388 8.29673 6.761 7.24514 6.29975 6.69554 9.52634 7.6656 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 6.29975 5.78974 9.52634 6.53153 6.69554 9.91388 8.29673 7.6656 7.24514 6.761 numMergedOcc 0
23 mol 133 unq 1 iso 1 dist 6.29975 5.78974 9.52634 8.29673 7.6656 7.24514 6.53153 6.69554 9.91388 6.761 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 8.29673 5.78974 7.24514 6.53153 6.761 9.91388 6.29975 7.6656 9.52634 6.69554 numMergedOcc 0
25 mol 133 unq 2 iso 1 dist 8.29673 5.78974 7.24514 6.29975 7.6656 9.52634 6.53153 6.761 9.91388 6.69554 numMergedOcc 0
26 mol 133 unq 3 iso 0 dist 8.94909 6.80087 8.00618 12.8006 11.965 6.29155 9.73536 7.79672 6.80239 7.81217 numMergedOcc 0
27 mol 133 unq 3 iso 1 dist 8.94909 6.80087 8.00618 9.73536 7.79672 6.80239 12.8006 11.965 6.29155 7.81217 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 6.00061 5.54906 8.67331 6.4896 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 9.37459 8.41711 5.87555 6.00061 5.54906 8.67331 9.0847 5.42328 6.70283 6.4896 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 6.00061 5.54906 8.05741 6.4896 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 9.37459 4.82496 8.87437 6.00061 5.54906 8.05741 9.0847 5.42328 7.16148 6.4896 numMergedOcc 0
32 mol 152 unq 2 iso 0 dist 9.0847 8.41711 6.70283 9.37459 5.42328 5.87555 6.00061 6.4896 8.67331 5.54906 numMergedOcc 0
33 mol 152 unq 2 iso 1 dist 9.0847 8.41711 6.70283 6.00061 6.4896 8.67331 9.37459 5.42328 5.87555 5.54906 numMergedOcc 0
34 mol 152 unq 3 iso 0 dist 9.0847 4.82496 7.16148 9.37459 5.42328 8.87437 6.00061 6.4896 8.05741 5.54906 numMergedOcc 0
35 mol 152 unq 3 iso 1 dist 9.0847 4.82496 7.16148 6.00061 6.4896 8.05741 9.37459 5.42328 8.87437 5.54906 numMergedOcc 0
36 mol 152 unq 4 iso 0 dist 6.00061 8.41711 8.67331 9.37459 5.54906 5.87555 9.0847 6.4896 6.70283 5.42328 numMergedOcc 0
37 mol 152 unq 4 iso 1 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 9.37459 5.54906 5.87555 5.42328 numMergedOcc 0
38 mol 152 unq 5 iso 0 dist 6.00061 4.82496 8.05741 9.37459 5.54906 8.87437 9.0847 6.4896 7.16148 5.42328 numMergedOcc 0
39 mol 152 unq 5 iso 1 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 9.37459 5.54906 8.87437 5.42328 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 12.5882 6.2715 5.6234 15.3964 8.16421 6.57069 5.35493 numMergedOcc 0
41 mol 175 unq 0 iso 1 dist 7.94593 13.2723 9.0018 15.3964 8.16421 6.57069 12.5882 6.2715 5.6234 5.35493 numMergedOcc 0
42 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 8.57378 5.34677 6.43573 10.1979 11.7381 7.17202 9.89739 numMergedOcc 0
43 mol 178 unq 0 iso 1 dist 5.41229 4.51874 6.69288 10.1979 11.7381 7.17202 8.57378 5.34677 6.43573 9.89739 numMergedOcc 0
44 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 8.57378 5.34677 6.43573 13.0631 14.0703 8.81551 10.5529 numMergedOcc 0
45 mol 178 unq 1 iso 1 dist 5.41229 4.51874 6.69288 13.0631 14.0703 8.81551 8.57378 5.34677 6.43573 10.5529 numMergedOcc 0
46 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 10.1979 11.7381 7.17202 13.0631 14.0703 8.81551 5.18005 numMergedOcc 0
47 mol 178 unq 1 iso 1 dist 5.41229 4.51874 6.69288 13.0631 14.0703 8.81551 10.1979 11.7381 7.17202 5.18005 numMergedOcc 0
48 mol 178 unq 2 iso 0 dist 8.57378 4.51874 6.43573 5.41229 5.34677 6.69288 10.1979 9.89739 7.17202 11.7381 numMergedOcc 0
49 mol 178 unq 2 iso 1 dist 8.57378 4.51874 6.43573 10.1979 9.89739 7.17202 5.41229 5.34677 6.69288 11.7381 numMergedOcc 0
50 mol 178 unq 3 iso 0 dist 8.57378 4.51874 6.43573 5.41229 5.34677 6.69288 13.0631 10.5529 8.81551 14.0703 numMergedOcc 0
51 mol 178 unq 3 iso 1 dist 8.57378 4.51874 6.43573 13.0631 10.5529 8.81551 5.41229 5.34677 6.69288 14.0703 numMergedOcc 0
52 mol 178 unq 3 iso 0 dist 8.57378 4.51874 6.43573 10.1979 9.89739 7.17202 13.0631 10.5529 8.81551 5.18005 numMergedOcc 0
53 mol 178 unq 3 iso 1 dist 8.57378 4.51874 6.43573 13.0631 10.5529 8.81551 10.1979 9.89739 7.17202 5.18005 numMergedOcc 0
54 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 13.1824 7.38516 6.03031 19.8591 13.8543 7.80463 8.18714 numMergedOcc 0
55 mol 205 unq 0 iso 1 dist 6.04106 12.9245 7.26832 19.8591 13.8543 7.80463 13.1824 7.38516 6.03031 8.18714 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.7326 4.70378 6.57273 14.3448 11.5372 5.78342 8.49799 numMergedOcc 0
57 mol 224 unq 0 iso 1 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 11.7326 4.70378 6.57273 8.49799 numMergedOcc 0
58 mol 224 unq 1 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 14.6947 6.91102 5.81334 5.60236 numMergedOcc 0
59 mol 224 unq 1 iso 1 dist 8.47457 15.1783 9.16166 14.6947 6.91102 5.81334 12.3857 5.0744 5.78342 5.60236 numMergedOcc 0
60 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 10.3795 6.29886 8.34494 12.069 7.82322 9.36357 12.1694 numMergedOcc 0
61 mol 234 unq 0 iso 1 dist 7.17032 5.44278 6.56247 12.069 7.82322 9.36357 10.3795 6.29886 8.34494 12.1694 numMergedOcc 0
62 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 10.2299 10.0727 8.02547 6.68878 4.63549 6.05727 5.51688 numMergedOcc 0
63 mol 261 unq 0 iso 1 dist 6.85589 4.31412 8.43057 6.68878 4.63549 6.05727 10.2299 10.0727 8.02547 5.51688 numMergedOcc 0
64 mol 261 unq 1 iso 0 dist 6.68878 4.31412 6.05727 10.2299 5.51688 8.02547 6.85589 4.63549 8.43057 10.0727 numMergedOcc 0
65 mol 261 unq 1 iso 1 dist 6.68878 4.31412 6.05727 6.85589 4.63549 8.43057 10.2299 5.51688 8.02547 10.0727 numMergedOcc 0
66 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 10.5849 10.0156 8.04483 7.12228 4.66602 6.33524 5.39891 numMergedOcc 0
67 mol 282 unq 0 iso 1 dist 7.34596 4.36798 8.76532 7.12228 4.66602 6.33524 10.5849 10.0156 8.04483 5.39891 numMergedOcc 0
68 mol 282 unq 1 iso 0 dist 7.12228 4.36798 6.33524 10.5849 5.39891 8.04483 7.34596 4.66602 8.76532 10.0156 numMergedOcc 0
69 mol 282 unq 1 iso 1 dist 7.12228 4.36798 6.33524 7.34596 4.66602 8.76532 10.5849 5.39891 8.04483 10.0156 numMergedOcc 0
