0 mol 76 unq 0 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
1 mol 76 unq 1 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
2 mol 109 unq 0 iso 0 dist 5.87358 7.07971 5.15674 4.98336 9.20981 11.8087 5.00433 9.74008 9.09348 8.07002 numMergedOcc 0
3 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
4 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
5 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 6.16471 7.34519 11.5667 7.58649 12.262 9.97028 13.6689 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 6.63981 7.79505 6.15949 4.48524 8.58999 11.7484 7.58649 12.262 9.97028 9.9212 numMergedOcc 0
7 mol 134 unq 0 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
8 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 8.80819 8.6355 11.988 7.41373 11.7151 8.62504 12.3479 numMergedOcc 0
9 mol 134 unq 2 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
10 mol 134 unq 3 iso 0 dist 5.42582 7.93372 5.67107 5.00817 8.6355 11.988 10.8635 11.7151 8.62504 12.3479 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 8.94837 9.00918 5.58312 7.93571 7.77454 11.0651 5.03507 10.253 8.14226 12.3575 numMergedOcc 0
12 mol 134 unq 5 iso 0 dist 8.94837 7.99477 9.61537 7.93571 7.77454 12.782 5.03507 10.253 5.78982 12.3575 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 5.67306 9.54444 11.7578 13.2918 12.0433 7.92216 16.9121 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 9.52936 5.96423 11.6883 5.43299 9.15417 11.2903 4.08775 13.0813 4.61596 9.093 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 13.7995 9.59129 15.41 4.72944 5.461 7.90657 10.1881 numMergedOcc 0
16 mol 227 unq 0 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
17 mol 227 unq 1 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
18 mol 227 unq 2 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
19 mol 227 unq 3 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
20 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 9.72447 9.85304 6.03081 16.74 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 12.983 10.6744 7.41433 15.431 numMergedOcc 0
22 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 9.72447 9.85304 6.03081 17.8221 numMergedOcc 0
23 mol 235 unq 3 iso 0 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 12.983 10.6744 7.41433 15.9099 numMergedOcc 0
24 mol 235 unq 4 iso 0 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 9.72447 9.85304 6.03081 15.4091 numMergedOcc 0
25 mol 235 unq 5 iso 0 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 12.983 10.6744 7.41433 13.9172 numMergedOcc 0
26 mol 235 unq 6 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
27 mol 235 unq 7 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
28 mol 235 unq 8 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 10.3462 11.7973 8.85214 19.4965 numMergedOcc 0
29 mol 235 unq 9 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 9.72447 9.85304 5.1874 16.74 numMergedOcc 0
30 mol 235 unq 10 iso 0 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 10.3462 11.7973 8.85214 17.9822 numMergedOcc 0
31 mol 235 unq 11 iso 0 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 9.72447 9.85304 5.1874 17.8221 numMergedOcc 0
32 mol 235 unq 12 iso 0 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 10.3462 11.7973 8.85214 14.269 numMergedOcc 0
33 mol 235 unq 13 iso 0 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 9.72447 9.85304 5.1874 15.4091 numMergedOcc 0
34 mol 235 unq 14 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
35 mol 235 unq 15 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
36 mol 235 unq 16 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 4.21867 9.85304 6.03081 16.74 numMergedOcc 0
37 mol 235 unq 17 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 5.88852 10.6744 7.41433 15.431 numMergedOcc 0
38 mol 235 unq 18 iso 0 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 4.21867 9.85304 6.03081 17.8221 numMergedOcc 0
39 mol 235 unq 19 iso 0 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 5.88852 10.6744 7.41433 15.9099 numMergedOcc 0
40 mol 235 unq 20 iso 0 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 4.21867 9.85304 6.03081 15.4091 numMergedOcc 0
41 mol 235 unq 21 iso 0 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 5.88852 10.6744 7.41433 13.9172 numMergedOcc 0
42 mol 235 unq 22 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
43 mol 235 unq 23 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
44 mol 235 unq 24 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 4.5022 11.7973 8.85214 19.4965 numMergedOcc 0
45 mol 235 unq 25 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 4.21867 9.85304 5.1874 16.74 numMergedOcc 0
46 mol 235 unq 26 iso 0 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 4.5022 11.7973 8.85214 17.9822 numMergedOcc 0
47 mol 235 unq 27 iso 0 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 4.21867 9.85304 5.1874 17.8221 numMergedOcc 0
48 mol 235 unq 28 iso 0 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 4.5022 11.7973 8.85214 14.269 numMergedOcc 0
49 mol 235 unq 29 iso 0 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 4.21867 9.85304 5.1874 15.4091 numMergedOcc 0
50 mol 235 unq 30 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
51 mol 235 unq 31 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
52 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 5.42006 5.38637 13.9551 5.71717 12.0545 4.66186 10.1427 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 12.9854 8.96531 14.1555 5.71717 10.3438 4.66186 14.4352 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 9.29858 9.72188 11.7938 10.1648 9.68513 11.1002 10.4706 10.0287 4.66186 13.1408 numMergedOcc 0
55 mol 238 unq 3 iso 0 dist 7.19008 9.12776 6.12722 5.34096 7.49471 8.69015 5.71717 7.24334 4.66186 6.82305 numMergedOcc 0
