0 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 16.8105 10.0952 6.86014 16.8347 12.4274 5.39241 9.75144 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 10.7814 13.5377 9.49077 9.83618 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 10.7814 13.7177 9.49077 9.83618 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 11.2215 5.47421 7.32874 12.406 10.335 6.75888 6.40841 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.66055 5.76106 6.81627 14.5289 9.7274 9.55426 18.6067 15.9764 13.1021 9.73139 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.66055 5.76106 6.81627 14.5289 9.7274 9.55426 12.406 10.335 6.75888 6.31428 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 17.6074 13.9977 10.8292 6.99777 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 9.3525 9.65429 6.12943 9.14376 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 17.6074 13.9977 11.7126 6.99777 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 9.3525 9.65429 4.62962 9.14376 numMergedOcc 0
10 mol 115 unq 4 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 9.16391 9.66954 6.09023 8.66155 numMergedOcc 0
11 mol 115 unq 5 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 9.16391 9.66954 4.61908 8.66155 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 12.6562 12.4808 8.25411 9.13561 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 12.6562 12.4808 7.89109 9.13561 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 12.6562 14.1119 8.25411 9.13561 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 12.6562 14.1119 7.89109 9.13561 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 12.5882 6.2715 5.6234 11.4028 10.689 5.28109 9.0664 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.94593 8.63795 7.652 12.5882 6.2715 9.92231 11.4028 10.689 7.14477 9.0664 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 17.323 10.1232 6.7991 4.93785 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 14.5476 11.4148 4.80231 6.93764 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 12.9326 10.1232 6.7991 4.93785 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.7326 4.70378 6.57273 5.98813 6.67585 5.29877 6.65984 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 15.2106 10.8259 7.12232 6.87664 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 15.2106 10.8259 5.3621 6.87664 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 8.9413 5.88703 9.45496 6.40261 10.3388 15.9563 9.5707 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 8.9413 5.88703 9.45496 4.48571 6.25105 11.216 7.85175 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 6.15754 14.0876 9.36357 8.9413 5.88703 6.7625 6.40261 10.3388 14.4106 9.5707 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 6.15754 14.0876 9.36357 8.9413 5.88703 6.7625 4.48571 6.25105 11.4315 7.85175 numMergedOcc 0
28 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 11.5469 5.88703 9.45496 10.6129 10.3388 15.9563 9.5707 numMergedOcc 0
29 mol 234 unq 5 iso 0 dist 6.6281 10.0624 6.56247 11.5469 5.88703 9.45496 5.91466 6.25105 11.216 7.85175 numMergedOcc 0
30 mol 234 unq 6 iso 0 dist 6.6281 13.9869 9.36357 11.5469 5.88703 6.7625 10.6129 10.3388 14.4106 9.5707 numMergedOcc 0
31 mol 234 unq 7 iso 0 dist 6.6281 13.9869 9.36357 11.5469 5.88703 6.7625 5.91466 6.25105 11.4315 7.85175 numMergedOcc 0
32 mol 234 unq 8 iso 0 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 4.48571 7.85175 11.216 6.25105 numMergedOcc 0
33 mol 234 unq 9 iso 0 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 4.48571 7.85175 11.4315 6.25105 numMergedOcc 0
34 mol 234 unq 10 iso 0 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 11.1927 7.85175 11.216 6.25105 numMergedOcc 0
35 mol 234 unq 11 iso 0 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 11.1927 7.85175 11.4315 6.25105 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 4.47231 5.34718 11.8759 7.17676 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 11.2391 10.5713 9.07822 6.68463 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 4.47231 5.34718 11.3552 7.17676 numMergedOcc 0
39 mol 236 unq 3 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 11.2391 10.5713 11.6837 6.68463 numMergedOcc 0
40 mol 236 unq 4 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 4.47231 5.34718 6.04825 7.17676 numMergedOcc 0
41 mol 236 unq 5 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 11.2391 10.5713 8.8265 6.68463 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 12.9748 10.9591 11.6195 7.48005 numMergedOcc 0
43 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 10.5849 10.0156 8.04483 7.00729 10.4802 6.3384 6.85028 numMergedOcc 0
44 mol 282 unq 1 iso 0 dist 7.34596 4.36798 8.76532 7.12228 4.66602 6.33524 7.00729 10.4802 6.3384 7.32347 numMergedOcc 0
45 mol 282 unq 2 iso 0 dist 7.12228 4.36798 6.33524 10.5849 5.39891 8.04483 7.00729 7.32347 6.3384 6.85028 numMergedOcc 0
