0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 10.7829 9.75144 5.39241 17.544 10.0952 8.86116 12.4274 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 8.14351 6.20293 10.7814 9.83618 9.49077 8.99509 5.06502 5.73819 13.5377 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 10.7814 9.83618 9.49077 5.73331 6.45462 8.93915 13.7177 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 5.39389 7.76729 10.7942 11.7895 8.02349 6.11741 12.9821 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 5.39389 7.76729 10.9739 12.9567 10.8507 7.30858 17.6696 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 5.39389 7.76729 10.9739 11.7895 8.02349 7.88312 12.9821 numMergedOcc 0
6 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 9.16391 9.66954 6.09023 11.2519 7.69052 5.83991 8.66155 numMergedOcc 0
7 mol 115 unq 4 iso 0 dist 5.22628 10.0419 9.33865 5.26498 7.64585 10.2377 11.2519 7.69052 5.83991 12.2309 numMergedOcc 0
8 mol 115 unq 5 iso 0 dist 5.22628 6.8104 6.11741 9.16391 9.66954 4.61908 11.2519 7.69052 7.88312 8.66155 numMergedOcc 0
9 mol 115 unq 6 iso 0 dist 5.22628 6.8104 6.11741 5.26498 7.64585 10.8939 11.2519 7.69052 7.88312 12.2309 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.94909 6.80087 8.00618 11.1266 7.92688 12.2037 12.8006 11.965 6.29155 17.2931 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 11.1266 7.92688 12.2037 9.73536 7.79672 6.80239 15.1694 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.0847 8.41711 6.70283 12.6562 9.13561 8.25411 9.37459 5.42328 5.87555 12.4808 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.0847 8.41711 6.70283 12.6562 9.13561 8.25411 6.00061 6.4896 8.67331 14.1119 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 9.0847 4.82496 7.16148 12.6562 9.13561 7.89109 9.37459 5.42328 8.87437 12.4808 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 9.0847 4.82496 7.16148 12.6562 9.13561 7.89109 6.00061 6.4896 8.05741 14.1119 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 11.0605 9.31887 11.0415 12.5882 6.2715 5.6234 12.816 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 11.0605 9.31887 11.0415 15.3964 8.16421 6.57069 11.3137 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 7.94593 8.63795 7.652 11.0605 9.31887 5.0384 12.5882 6.2715 9.92231 12.816 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 10.9336 6.93764 4.80231 15.3001 8.85576 7.81386 11.4148 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 9.09192 6.94688 6.25083 17.347 13.2049 8.03334 12.1309 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 7.15963 14.1493 9.1374 12.1848 6.71012 4.77278 17.347 13.2049 8.03334 12.2058 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 9.09192 6.94688 5.86342 11.5431 10.1912 9.09537 14.4632 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 7.15963 6.73556 5.98885 12.1848 6.71012 9.14057 11.5431 10.1912 9.09537 15.4777 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 13.9818 8.85576 7.63312 10.1232 numMergedOcc 0
25 mol 181 unq 6 iso 0 dist 8.80581 10.209 7.63312 5.98221 6.93764 4.80231 14.9028 8.85576 7.81386 11.4148 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 6.15396 8.36822 5.71262 9.74252 5.76246 7.00794 12.1647 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 4.53973 7.06793 9.36098 11.7326 4.70378 6.57273 10.0414 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 4.53973 7.06793 9.36098 14.3448 11.5372 5.78342 12.7072 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 9.61379 9.57016 8.95269 5.98813 6.67585 5.29877 11.7326 4.70378 6.57273 6.65984 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 9.61379 9.57016 8.95269 5.98813 6.67585 5.29877 14.3448 11.5372 5.78342 10.667 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 4.48571 6.25105 11.216 8.9413 5.88703 9.45496 7.85175 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 6.15754 14.0876 9.36357 4.48571 6.25105 11.4315 8.9413 5.88703 6.7625 7.85175 numMergedOcc 0
33 mol 234 unq 2 iso 0 dist 6.6281 10.0624 6.56247 5.91466 6.25105 11.216 11.5469 5.88703 9.45496 7.85175 numMergedOcc 0
34 mol 234 unq 3 iso 0 dist 6.6281 13.9869 9.36357 5.91466 6.25105 11.4315 11.5469 5.88703 6.7625 7.85175 numMergedOcc 0
35 mol 234 unq 4 iso 0 dist 8.9413 12.4455 9.45496 6.40261 9.5707 15.9563 6.15754 5.88703 6.56247 10.3388 numMergedOcc 0
36 mol 234 unq 5 iso 0 dist 8.9413 12.4455 9.45496 4.48571 7.85175 11.216 6.15754 5.88703 6.56247 6.25105 numMergedOcc 0
37 mol 234 unq 6 iso 0 dist 8.9413 14.0876 6.7625 6.40261 9.5707 14.4106 6.15754 5.88703 9.36357 10.3388 numMergedOcc 0
38 mol 234 unq 7 iso 0 dist 8.9413 14.0876 6.7625 4.48571 7.85175 11.4315 6.15754 5.88703 9.36357 6.25105 numMergedOcc 0
39 mol 234 unq 8 iso 0 dist 4.91961 11.5103 9.45496 12.2893 9.5707 15.9563 10.2233 5.88703 6.56247 10.3388 numMergedOcc 0
40 mol 234 unq 9 iso 0 dist 4.91961 11.5103 9.45496 11.1927 7.85175 11.216 10.2233 5.88703 6.56247 6.25105 numMergedOcc 0
41 mol 234 unq 10 iso 0 dist 4.91961 4.98993 6.7625 12.2893 9.5707 14.4106 10.2233 5.88703 9.36357 10.3388 numMergedOcc 0
42 mol 234 unq 11 iso 0 dist 4.91961 4.98993 6.7625 11.1927 7.85175 11.4315 10.2233 5.88703 9.36357 6.25105 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 4.47231 5.34718 11.8759 11.0371 7.28249 8.03456 7.17676 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 4.47231 5.34718 11.3552 11.0371 7.28249 6.84306 7.17676 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 4.47231 5.34718 6.04825 11.0371 7.28249 9.99038 7.17676 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 12.9748 7.48005 11.6195 5.29682 4.69778 8.13497 10.9591 numMergedOcc 0
47 mol 282 unq 0 iso 0 dist 7.12228 4.36798 6.33524 7.00729 7.32347 6.3384 10.5849 5.39891 8.04483 6.85028 numMergedOcc 0
48 mol 282 unq 1 iso 0 dist 7.12228 4.36798 6.33524 7.00729 7.32347 6.3384 7.34596 4.66602 8.76532 10.4802 numMergedOcc 0
