0 mol 28 unq 0 iso 0 dist 6.69917 4.20692 8.75468 6.88969 7.62989 4.35316 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 6.69917 6.88969 7.62989 4.20692 8.75468 4.35316 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.69917 4.20692 8.75468 10.3116 5.70238 10.5327 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 6.69917 10.3116 5.70238 4.20692 8.75468 10.5327 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 6.69917 6.88969 7.62989 10.3116 5.70238 8.14155 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 6.69917 10.3116 5.70238 6.88969 7.62989 8.14155 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 5.21094 5.07861 7.66985 6.20494 9.17482 8.67111 numMergedOcc 0
7 mol 28 unq 2 iso 1 dist 5.21094 6.20494 9.17482 5.07861 7.66985 8.67111 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 8.64844 10.7132 9.31883 12.8676 9.475 3.56021 numMergedOcc 0
9 mol 34 unq 0 iso 1 dist 8.64844 12.8676 9.475 10.7132 9.31883 3.56021 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 8.64844 10.7132 9.31883 8.77785 8.34011 5.8452 numMergedOcc 0
11 mol 34 unq 1 iso 1 dist 8.64844 8.77785 8.34011 10.7132 9.31883 5.8452 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 8.64844 10.7132 9.31883 9.16728 6.29842 14.6218 numMergedOcc 0
13 mol 34 unq 2 iso 1 dist 8.64844 9.16728 6.29842 10.7132 9.31883 14.6218 numMergedOcc 0
14 mol 34 unq 1 iso 0 dist 8.64844 12.8676 9.475 8.77785 8.34011 5.86087 numMergedOcc 0
15 mol 34 unq 1 iso 1 dist 8.64844 8.77785 8.34011 12.8676 9.475 5.86087 numMergedOcc 0
16 mol 34 unq 2 iso 0 dist 8.64844 12.8676 9.475 9.16728 6.29842 14.7594 numMergedOcc 0
17 mol 34 unq 2 iso 1 dist 8.64844 9.16728 6.29842 12.8676 9.475 14.7594 numMergedOcc 0
18 mol 34 unq 2 iso 0 dist 8.64844 8.77785 8.34011 9.16728 6.29842 11.4891 numMergedOcc 0
19 mol 34 unq 2 iso 1 dist 8.64844 9.16728 6.29842 8.77785 8.34011 11.4891 numMergedOcc 0
20 mol 39 unq 0 iso 0 dist 6.50983 11.6588 8.55553 5.25652 5.00813 7.67651 numMergedOcc 0
21 mol 39 unq 0 iso 1 dist 6.50983 5.25652 5.00813 11.6588 8.55553 7.67651 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.26179 11.7078 8.59337 16.0942 7.66942 8.86418 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 9.26179 16.0942 7.66942 11.7078 8.59337 8.86418 numMergedOcc 0
24 mol 111 unq 0 iso 0 dist 8.52122 9.37497 4.72339 4.38642 6.48902 6.94371 numMergedOcc 0
25 mol 111 unq 0 iso 1 dist 8.52122 4.38642 6.48902 9.37497 4.72339 6.94371 numMergedOcc 0
26 mol 111 unq 1 iso 0 dist 8.52122 9.37497 4.72339 9.20246 7.21505 8.72808 numMergedOcc 0
27 mol 111 unq 1 iso 1 dist 8.52122 9.20246 7.21505 9.37497 4.72339 8.72808 numMergedOcc 0
28 mol 111 unq 1 iso 0 dist 8.52122 4.38642 6.48902 9.20246 7.21505 10.4972 numMergedOcc 0
29 mol 111 unq 1 iso 1 dist 8.52122 9.20246 7.21505 4.38642 6.48902 10.4972 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 7.52352 9.72694 8.56866 10.7652 5.66207 10.0717 numMergedOcc 0
31 mol 143 unq 0 iso 1 dist 7.52352 10.7652 5.66207 9.72694 8.56866 10.0717 numMergedOcc 0
32 mol 143 unq 1 iso 0 dist 7.23619 9.96149 8.56866 7.81193 5.66207 10.0717 numMergedOcc 0
33 mol 143 unq 1 iso 1 dist 7.23619 7.81193 5.66207 9.96149 8.56866 10.0717 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 7.60057 9.03379 9.19506 10.1184 9.94904 9.21043 numMergedOcc 0
35 mol 182 unq 0 iso 1 dist 7.60057 10.1184 9.94904 9.03379 9.19506 9.21043 numMergedOcc 0
36 mol 182 unq 1 iso 0 dist 7.60057 9.03379 9.19506 9.8017 9.30893 13.7057 numMergedOcc 0
37 mol 182 unq 1 iso 1 dist 7.60057 9.8017 9.30893 9.03379 9.19506 13.7057 numMergedOcc 0
38 mol 182 unq 1 iso 0 dist 7.60057 10.1184 9.94904 9.8017 9.30893 6.78442 numMergedOcc 0
39 mol 182 unq 1 iso 1 dist 7.60057 9.8017 9.30893 10.1184 9.94904 6.78442 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 6.84316 4.52436 7.88501 5.94727 9.09585 7.59605 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 6.84316 5.94727 9.09585 4.52436 7.88501 7.59605 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 9.03723 10.7675 7.83105 5.25305 5.63025 9.60716 numMergedOcc 0
43 mol 230 unq 0 iso 1 dist 9.03723 5.25305 5.63025 10.7675 7.83105 9.60716 numMergedOcc 0
44 mol 255 unq 0 iso 0 dist 6.20513 5.79787 8.56885 6.05249 5.54361 9.13933 numMergedOcc 0
45 mol 255 unq 0 iso 1 dist 6.20513 6.05249 5.54361 5.79787 8.56885 9.13933 numMergedOcc 0
46 mol 255 unq 1 iso 0 dist 6.20513 5.79787 8.56885 12.3809 7.73503 16.0238 numMergedOcc 0
47 mol 255 unq 1 iso 1 dist 6.20513 12.3809 7.73503 5.79787 8.56885 16.0238 numMergedOcc 0
48 mol 255 unq 1 iso 0 dist 6.20513 6.05249 5.54361 12.3809 7.73503 8.80381 numMergedOcc 0
49 mol 255 unq 1 iso 1 dist 6.20513 12.3809 7.73503 6.05249 5.54361 8.80381 numMergedOcc 0
50 mol 255 unq 2 iso 0 dist 4.66522 13.2132 8.56885 7.69631 5.54361 9.13933 numMergedOcc 0
51 mol 255 unq 2 iso 1 dist 4.66522 7.69631 5.54361 13.2132 8.56885 9.13933 numMergedOcc 0
52 mol 255 unq 3 iso 0 dist 4.66522 13.2132 8.56885 3.53487 7.73503 16.0238 numMergedOcc 0
53 mol 255 unq 3 iso 1 dist 4.66522 3.53487 7.73503 13.2132 8.56885 16.0238 numMergedOcc 0
54 mol 255 unq 3 iso 0 dist 4.66522 7.69631 5.54361 3.53487 7.73503 8.80381 numMergedOcc 0
55 mol 255 unq 3 iso 1 dist 4.66522 3.53487 7.73503 7.69631 5.54361 8.80381 numMergedOcc 0
