0 mol 73 unq 0 iso 0 dist 7.13087 5.61588 8.97361 5.9144 12.8714 8.46627 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 7.13087 7.83244 10.2983 5.9144 12.8714 9.22208 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.97793 9.85905 9.21694 15.4159 13.9204 9.59729 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 6.21982 6.72869 4.00608 5.31985 9.4866 9.59729 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 8.19682 9.85905 4.00608 15.4159 9.4866 9.59729 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.75946 5.51831 8.44919 6.13636 9.8042 8.05579 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.96555 7.13008 10.6094 9.50063 13.4077 8.89015 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 5.87358 7.07971 5.15674 5.00433 9.74008 9.09348 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 6.63111 8.0168 7.65564 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.66954 6.39384 6.49835 6.95773 10.8109 7.65564 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 8.66155 9.42082 6.49835 6.01673 10.8109 7.65564 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 7.64585 6.39384 5.65471 6.95773 7.65255 7.65564 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 7.58649 12.262 9.97028 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 7.41373 11.7151 8.62504 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 5.42582 7.93372 5.67107 10.8635 11.7151 8.62504 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.94837 9.00918 5.58312 5.03507 10.253 8.14226 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 8.94837 7.99477 9.61537 5.03507 10.253 5.78982 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 13.2918 12.0433 7.92216 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.98142 9.01624 12.2513 5.42158 13.3069 9.92831 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.37327 9.01624 14.8923 5.42158 11.4308 9.92831 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 9.52936 5.96423 11.6883 4.08775 13.0813 4.61596 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 4.72944 5.461 7.90657 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 6.97182 7.46481 11.357 16.8346 19.2428 9.43017 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 6.1175 7.46481 10.9581 16.8346 19.0651 9.43017 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 8.49509 15.7785 8.85955 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 9.62609 6.91318 11.5454 4.69247 10.4959 6.09335 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 8.17891 5.23634 4.09934 4.664 12.0306 8.85955 numMergedOcc 0
27 mol 227 unq 3 iso 0 dist 8.17891 5.23634 4.09934 4.1511 7.79951 6.09335 numMergedOcc 0
28 mol 227 unq 4 iso 0 dist 6.95902 6.91318 4.09934 8.49509 12.0306 8.85955 numMergedOcc 0
29 mol 227 unq 5 iso 0 dist 6.95902 6.91318 4.09934 4.69247 7.79951 6.09335 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 9.72447 9.85304 6.03081 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 12.983 10.6744 7.41433 numMergedOcc 0
32 mol 235 unq 2 iso 0 dist 6.98084 6.29377 7.34601 10.3462 11.7973 8.85214 numMergedOcc 0
33 mol 235 unq 3 iso 0 dist 6.98084 6.29377 7.34601 9.72447 9.85304 5.1874 numMergedOcc 0
34 mol 235 unq 4 iso 0 dist 7.32211 5.1823 4.47008 4.21867 9.85304 6.03081 numMergedOcc 0
35 mol 235 unq 5 iso 0 dist 7.32211 5.1823 4.47008 5.88852 10.6744 7.41433 numMergedOcc 0
36 mol 235 unq 6 iso 0 dist 7.32211 5.70635 7.34601 4.5022 11.7973 8.85214 numMergedOcc 0
37 mol 235 unq 7 iso 0 dist 7.32211 5.70635 7.34601 4.21867 9.85304 5.1874 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 5.71717 12.0545 4.66186 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 5.71717 10.3438 4.66186 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 7.67322 9.12776 9.75095 5.71717 7.39547 4.66186 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 9.29858 9.72188 11.7938 10.4706 10.0287 4.66186 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 7.19008 9.12776 6.12722 5.71717 7.24334 4.66186 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 9.41725 8.9682 18.3854 3.97543 12.3265 7.16209 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 9.41725 6.92711 16.1088 3.97543 12.3265 4.62936 numMergedOcc 0
