0 mol 15 unq 0 iso 0 dist 9.97507 8.38064 9.03536 7.48342 12.1303 4.39605 6.49982 8.28153 11.7793 12.9387 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 4.44441 7.7312 10.1278 12.7679 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 10.0411 7.7312 14.2009 12.7679 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 10.0411 7.7312 10.1278 12.7679 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.66248 7.49157 14.9512 11.4816 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 6.73521 7.73794 12.1131 12.7944 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 6.7846 8.23075 10.551 7.85986 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 8.03955 4.7841 14.1707 4.30252 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 6.7846 8.23075 10.551 7.8619 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 8.03955 4.7841 14.1707 13.3176 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 6.7846 8.23075 10.551 11.0098 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 8.03955 4.7841 14.1707 12.496 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 8.95682 6.18002 8.38399 9.86609 7.39848 11.4251 12.8435 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 7.21955 7.09066 7.12541 4.25144 7.4785 6.39747 9.97953 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 7.21955 7.09066 5.74871 4.25144 7.4785 10.307 9.97953 numMergedOcc 0
15 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 8.44881 8.34191 12.1872 12.2293 numMergedOcc 0
16 mol 58 unq 3 iso 0 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 4.25144 6.39747 7.4785 9.97953 numMergedOcc 0
17 mol 58 unq 4 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 8.44881 8.34191 9.79064 12.2293 numMergedOcc 0
18 mol 58 unq 5 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 4.25144 6.39747 10.307 9.97953 numMergedOcc 0
19 mol 58 unq 6 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 4.59417 9.23438 9.9105 6.41008 numMergedOcc 0
20 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 4.59417 9.23438 7.17488 6.41008 numMergedOcc 0
21 mol 58 unq 8 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 4.59417 7.17488 9.23438 6.41008 numMergedOcc 0
22 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 4.59417 7.17488 9.9105 6.41008 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 15.1432 7.37171 21.1182 22.417 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 15.1432 7.37171 19.3924 22.417 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.54568 10.2865 8.09967 8.37717 9.01812 9.90583 15.3758 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.54568 10.2865 4.65335 8.37717 9.01812 15.0494 15.3758 numMergedOcc 0
27 mol 95 unq 0 iso 0 dist 9.03572 8.83255 6.59319 9.49454 13.3662 12.0666 4.73066 7.51733 9.01607 13.7457 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 9.03572 8.03644 16.6055 9.49454 13.3662 11.4333 4.73066 7.51733 11.5898 13.7457 numMergedOcc 0
29 mol 95 unq 2 iso 0 dist 8.83255 9.03572 6.59319 9.49454 12.0666 13.3662 4.73066 9.01607 7.51733 13.7457 numMergedOcc 0
30 mol 95 unq 3 iso 0 dist 8.83255 8.03644 13.8105 9.49454 12.0666 11.4333 4.73066 9.01607 11.5898 13.7457 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 6.90986 7.11972 10.498 5.88249 5.31484 6.77806 6.34182 5.93278 12.8676 9.24302 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 6.90986 7.11972 10.498 5.88249 5.31484 6.77806 8.66957 6.19918 14.3131 10.7582 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 9.90168 13.7237 7.7567 11.6692 8.80895 17.775 17.1537 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 6.85062 7.12972 6.63273 9.90168 13.7237 8.23791 11.6692 8.80895 12.9064 17.1537 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 6.5107 9.52634 9.56949 6.66772 7.12976 4.34568 6.12885 5.78814 11.6108 10.218 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 6.03688 12.4957 8.15057 13.3822 7.13783 13.3708 17.7232 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.03688 12.4957 6.09749 13.3822 7.13783 20.4298 17.7232 numMergedOcc 0
