0 mol 19 unq 0 iso 0 dist 4.51865 6.41423 4.64838 7.7312 4.44441 5.31883 5.80928 8.4674 6.41575 10.1278 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.864 6.41423 4.97119 7.7312 10.0411 5.31883 7.07775 7.20519 10.741 14.2009 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.864 6.41423 4.97119 7.7312 10.0411 5.31883 5.80928 4.54938 6.41575 10.1278 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 7.49157 8.66248 7.02381 10.0952 8.86116 12.9284 14.9512 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 7.73794 6.73521 7.18485 10.0952 8.86116 12.9284 12.1131 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 7.49157 8.66248 13.4969 10.0952 8.86116 13.4393 14.9512 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 7.73794 6.73521 13.9252 10.0952 8.86116 13.4393 12.1131 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 7.49157 8.66248 14.1137 10.0952 8.86116 8.60554 14.9512 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.86014 7.29868 8.52463 7.73794 6.73521 13.4584 10.0952 8.86116 8.60554 12.1131 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 12.3067 7.36323 9.12854 10.551 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 12.3067 7.36323 9.12854 14.1707 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 12.3067 7.36323 18.673 10.551 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 12.3067 7.36323 18.673 14.1707 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 6.20293 8.95682 8.38399 9.02471 14.0654 10.4863 5.06502 5.73819 12.3649 13.9823 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 6.20293 8.95682 8.38399 9.02471 14.0654 10.4863 6.45462 8.93915 14.3789 13.2795 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 5.30792 6.62496 5.93884 9.9105 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 5.35073 6.35756 7.68678 7.17488 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 5.35073 6.86465 9.92355 9.23438 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 4.81926 6.62496 5.93884 9.9105 numMergedOcc 0
19 mol 58 unq 4 iso 0 dist 9.55426 7.21955 5.74871 9.4278 10.5901 4.97525 10.6169 9.4099 12.3035 16.824 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 9.96708 9.27838 11.6378 4.86198 10.7434 13.6186 8.24309 9.78528 16.0048 6.62699 numMergedOcc 0
21 mol 75 unq 0 iso 0 dist 7.79912 9.81166 11.4997 9.16597 4.74027 7.98253 5.64643 8.56639 14.6043 11.7473 numMergedOcc 0
22 mol 75 unq 1 iso 0 dist 7.79912 9.81166 11.4997 9.16597 4.74027 7.98253 10.4899 8.59017 18.7078 13.2779 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 6.19965 7.54568 8.09967 8.04242 8.18948 13.5973 5.42586 7.97049 10.0796 11.5901 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 7.66905 7.54568 4.65335 8.04242 14.113 13.5973 5.42586 7.47541 10.0796 11.5901 numMergedOcc 0
25 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 8.04242 14.113 13.5973 10.1164 5.73196 9.39864 17.4114 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 5.39945 6.97707 5.31484 4.76974 4.18693 8.16155 5.67807 6.90986 5.88249 9.28256 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 5.39945 6.97707 5.31484 8.0336 7.41059 11.4853 5.67807 6.90986 5.88249 12.9131 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 6.85062 8.70296 14.2045 8.80895 11.6692 5.92118 10.7062 8.40312 18.0058 17.775 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 6.85062 8.70296 14.2045 8.80895 11.6692 5.92118 6.63273 7.12972 12.6227 12.9064 numMergedOcc 0
30 mol 131 unq 2 iso 0 dist 6.85062 9.25558 5.09131 8.80895 11.6692 10.2176 10.7062 8.40312 13.44 17.775 numMergedOcc 0
31 mol 131 unq 3 iso 0 dist 6.85062 9.25558 5.09131 8.80895 11.6692 10.2176 6.63273 7.12972 11.586 12.9064 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 7.26832 5.44002 10.3603 7.13783 13.3822 4.76454 7.38516 6.03031 12.3113 13.3708 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 7.26832 5.44002 10.3603 7.13783 13.3822 4.76454 13.8543 7.80463 17.9798 20.4298 numMergedOcc 0
34 mol 206 unq 0 iso 0 dist 7.7366 6.16414 6.45859 4.51255 7.83734 9.36584 5.63422 9.774 7.75885 6.23183 numMergedOcc 0
35 mol 206 unq 1 iso 0 dist 7.7366 7.33701 4.40897 4.51255 7.83734 8.97305 5.63422 9.774 11.4872 6.23183 numMergedOcc 0
36 mol 206 unq 2 iso 0 dist 7.7366 8.0871 7.62219 4.51255 7.83734 8.90838 5.63422 9.774 13.2041 6.23183 numMergedOcc 0
37 mol 206 unq 3 iso 0 dist 9.774 7.75885 6.45859 6.23183 7.83734 9.36584 5.63422 7.7366 6.16414 4.51255 numMergedOcc 0
