0 mol 73 unq 0 iso 0 dist 7.13087 5.61588 8.97361 8.07446 13.6145 5.5087 5.9144 12.8714 8.46627 6.41115 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 7.13087 7.83244 10.2983 8.07446 13.6145 6.08682 5.9144 12.8714 9.22208 6.41115 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.97793 9.85905 9.21694 10.2879 11.062 6.72869 15.4159 13.9204 9.59729 5.31985 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 6.21982 6.72869 4.00608 10.2879 8.19682 9.85905 5.31985 9.4866 9.59729 15.4159 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 8.19682 9.85905 4.00608 10.2879 6.21982 6.72869 15.4159 9.4866 9.59729 5.31985 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.75946 5.51831 8.44919 6.50464 14.8208 8.40422 6.13636 9.8042 8.05579 10.6632 numMergedOcc 0
6 mol 89 unq 1 iso 0 dist 8.75946 5.51831 8.44919 8.46794 15.8268 8.40425 6.13636 9.8042 8.05579 9.32983 numMergedOcc 0
7 mol 89 unq 2 iso 0 dist 8.75946 5.51831 8.44919 10.4087 15.3836 7.47974 6.13636 9.8042 8.05579 10.4274 numMergedOcc 0
8 mol 89 unq 3 iso 0 dist 8.75946 5.51831 8.44919 5.45013 13.4019 9.65149 6.13636 9.8042 8.05579 6.14929 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.66954 6.39384 6.49835 7.69052 8.66155 9.42082 6.95773 10.8109 7.65564 6.01673 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.66155 9.42082 6.49835 7.69052 9.66954 6.39384 6.01673 10.8109 7.65564 6.95773 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 7.64585 6.39384 5.65471 7.69052 12.2309 9.42082 6.95773 7.65255 7.65564 6.01673 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 6.55997 10.5605 7.36199 7.58649 12.262 9.97028 7.60948 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 5.62899 13.0121 9.66543 7.41373 11.7151 8.62504 4.46337 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 5.49782 5.42582 7.93372 7.41373 11.7151 8.62504 10.8635 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 5.42582 7.93372 5.67107 10.7144 13.0121 9.66543 10.8635 11.7151 8.62504 4.46337 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 5.42582 7.93372 5.67107 5.49782 8.79571 7.21868 10.8635 11.7151 8.62504 7.41373 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 8.94837 9.00918 5.58312 14.069 11.0162 9.10524 5.03507 10.253 8.14226 15.3018 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 8.94837 7.99477 9.61537 6.90348 13.0127 5.35237 5.03507 10.253 5.78982 5.4761 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.98142 9.01624 12.2513 11.5866 16.7285 5.05973 5.42158 13.3069 9.92831 10.0773 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.37327 9.01624 14.8923 11.5866 18.3916 5.05973 5.42158 11.4308 9.92831 10.0773 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 5.22356 13.4493 5.23634 8.49509 15.7785 8.85955 4.664 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.62609 6.91318 11.5454 5.22356 13.4493 5.23634 4.69247 10.4959 6.09335 4.1511 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 8.17891 5.23634 4.09934 5.22356 6.95902 6.91318 4.664 12.0306 8.85955 8.49509 numMergedOcc 0
24 mol 227 unq 3 iso 0 dist 8.17891 5.23634 4.09934 5.22356 6.95902 6.91318 4.1511 7.79951 6.09335 4.69247 numMergedOcc 0
25 mol 227 unq 4 iso 0 dist 6.95902 6.91318 4.09934 5.22356 8.17891 5.23634 8.49509 12.0306 8.85955 4.664 numMergedOcc 0
26 mol 227 unq 5 iso 0 dist 6.95902 6.91318 4.09934 5.22356 8.17891 5.23634 4.69247 7.79951 6.09335 4.1511 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 9.72447 9.85304 6.03081 4.21867 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 12.983 10.6744 7.41433 5.88852 numMergedOcc 0
29 mol 235 unq 2 iso 0 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 10.3462 11.7973 8.85214 4.5022 numMergedOcc 0
30 mol 235 unq 3 iso 0 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 9.72447 9.85304 5.1874 4.21867 numMergedOcc 0
31 mol 235 unq 4 iso 0 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 4.21867 9.85304 6.03081 9.72447 numMergedOcc 0
32 mol 235 unq 5 iso 0 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 5.88852 10.6744 7.41433 12.983 numMergedOcc 0
33 mol 235 unq 6 iso 0 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 4.5022 11.7973 8.85214 10.3462 numMergedOcc 0
34 mol 235 unq 7 iso 0 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 4.21867 9.85304 5.1874 9.72447 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 15.7907 21.3432 9.72188 5.71717 12.0545 4.66186 10.4706 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 15.7907 17.436 9.72188 5.71717 10.3438 4.66186 10.4706 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 7.67322 9.12776 9.75095 15.7907 12.1104 9.72188 5.71717 7.39547 4.66186 10.4706 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 9.29858 9.72188 11.7938 15.7907 12.3367 9.12776 10.4706 10.0287 4.66186 5.71717 numMergedOcc 0
39 mol 238 unq 4 iso 0 dist 7.19008 9.12776 6.12722 15.7907 15.0465 9.72188 5.71717 7.24334 4.66186 10.4706 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 9.41725 8.9682 18.3854 11.8268 19.0768 9.57499 3.97543 12.3265 7.16209 11.2997 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 9.41725 8.9682 18.3854 7.08227 15.6511 5.46926 3.97543 12.3265 7.16209 4.40029 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 9.41725 6.92711 16.1088 7.08227 15.6511 5.13913 3.97543 12.3265 4.62936 4.40029 numMergedOcc 0
