0 mol 1 unq 0 iso 0 dist 8.27735 8.7275 4.50502 5.27206 9.00903 10.8992 6.03793 8.56884 5.96833 9.01967 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 6.77987 10.2876 10.5449 6.86014 15.5096 10.7829 9.75144 16.7676 5.39241 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 7.86479 8.6477 15.1595 8.80331 17.0655 10.7814 9.83618 13.1351 10.4442 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.47617 7.86479 8.6477 8.14351 6.20293 12.9128 10.7814 9.83618 13.1351 9.49077 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.32453 8.25047 6.77898 8.18176 6.97941 9.76346 12.9327 9.49449 10.9283 6.06861 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.11612 6.17349 4.48636 10.3475 9.33865 13.4105 5.39389 7.76729 10.1174 10.7942 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 5.11612 6.17349 4.48636 6.86762 5.83991 7.69765 5.39389 7.76729 10.1174 10.9739 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 5.11612 9.21978 6.63111 10.3475 9.33865 6.39384 5.39389 7.76729 8.0168 10.7942 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 5.11612 9.21978 6.63111 6.86762 5.83991 9.42082 5.39389 7.76729 8.0168 10.9739 numMergedOcc 0
9 mol 115 unq 4 iso 0 dist 5.22628 9.26505 6.95773 10.0419 9.33865 6.24825 9.16391 9.66954 10.8109 6.09023 numMergedOcc 0
10 mol 115 unq 5 iso 0 dist 5.22628 9.26505 6.95773 10.0419 9.33865 6.24825 5.26498 7.64585 7.65255 10.2377 numMergedOcc 0
11 mol 115 unq 6 iso 0 dist 5.22628 9.26505 6.95773 6.8104 6.11741 10.0255 9.16391 9.66954 10.8109 4.61908 numMergedOcc 0
12 mol 115 unq 7 iso 0 dist 5.22628 9.26505 6.95773 6.8104 6.11741 10.0255 5.26498 7.64585 7.65255 10.8939 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.94909 7.33743 15.0115 8.76089 7.11802 12.5855 11.1266 7.92688 16.243 4.68409 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.94909 7.33743 15.0115 6.80087 8.00618 8.77023 11.1266 7.92688 16.243 12.2037 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 7.94593 8.03208 5.00913 13.2723 9.0018 13.6764 11.0605 9.31887 9.76114 11.0415 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 7.94593 8.03208 5.00913 8.63795 7.652 10.1305 11.0605 9.31887 9.76114 5.0384 numMergedOcc 0
17 mol 175 unq 2 iso 0 dist 7.94593 8.70409 5.42675 13.2723 9.0018 14.3303 11.0605 9.31887 12.8868 11.0415 numMergedOcc 0
18 mol 175 unq 3 iso 0 dist 7.94593 8.70409 5.42675 8.63795 7.652 12.2424 11.0605 9.31887 12.8868 5.0384 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 7.14849 5.4647 6.42973 6.96904 6.69288 7.06025 8.42124 8.96511 12.6109 10.5783 numMergedOcc 0
20 mol 178 unq 1 iso 0 dist 7.14849 5.4647 6.42973 7.57303 6.43573 10.0638 8.42124 8.96511 12.6109 5.96647 numMergedOcc 0
21 mol 178 unq 2 iso 0 dist 7.14849 5.4647 6.42973 14.0459 7.17202 13.2692 8.42124 8.96511 12.6109 12.075 numMergedOcc 0
22 mol 178 unq 3 iso 0 dist 7.14849 5.4647 6.42973 14.3001 8.81551 15.0672 8.42124 8.96511 12.6109 9.92132 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.50454 9.19831 4.61184 11.755 7.63312 11.7785 10.9336 6.93764 11.187 4.80231 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.15963 9.19831 9.83826 14.1493 9.1374 16.9717 9.09192 6.94688 12.6052 6.25083 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 7.15963 9.19831 9.83826 14.1493 9.1374 16.9717 12.1848 6.71012 12.7471 4.77278 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 7.15963 9.19831 9.83826 6.73556 5.98885 13.7845 9.09192 6.94688 12.6052 5.86342 numMergedOcc 0
27 mol 181 unq 4 iso 0 dist 7.15963 9.19831 9.83826 6.73556 5.98885 13.7845 12.1848 6.71012 12.7471 9.14057 numMergedOcc 0
28 mol 181 unq 5 iso 0 dist 7.15963 9.19831 9.83826 5.49666 9.15386 13.131 9.09192 6.94688 12.6052 6.80228 numMergedOcc 0
29 mol 181 unq 6 iso 0 dist 7.15963 9.19831 9.83826 5.49666 9.15386 13.131 12.1848 6.71012 12.7471 11.6919 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 6.15754 6.39499 5.53885 11.8245 8.34494 13.7549 4.48571 6.25105 7.36208 10.3337 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 6.15754 6.39499 5.53885 12.4455 6.56247 11.1872 4.48571 6.25105 7.36208 11.216 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 6.15754 6.39499 5.53885 14.0876 9.36357 10.5689 4.48571 6.25105 7.36208 11.4315 numMergedOcc 0
33 mol 234 unq 3 iso 0 dist 8.9413 6.39499 3.95629 12.4455 9.45496 11.1872 6.40261 9.5707 8.27411 15.9563 numMergedOcc 0
34 mol 234 unq 4 iso 0 dist 8.9413 6.39499 3.95629 12.4455 9.45496 11.1872 4.48571 7.85175 7.36208 11.216 numMergedOcc 0
35 mol 234 unq 5 iso 0 dist 8.9413 6.39499 3.95629 14.0876 6.7625 10.5689 6.40261 9.5707 8.27411 14.4106 numMergedOcc 0
36 mol 234 unq 6 iso 0 dist 8.9413 6.39499 3.95629 14.0876 6.7625 10.5689 4.48571 7.85175 7.36208 11.4315 numMergedOcc 0
