0 mol 5 unq 0 iso 0 dist 9.89833 7.77059 6.4543 11.7909 11.7057 5.69239 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.99402 8.16906 5.05883 4.84364 6.68744 8.7908 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.83595 7.88072 7.22162 4.83638 11.087 9.63882 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 7.83595 7.88072 7.22162 5.2103 10.9758 6.87277 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.04551 7.49794 13.0811 13.819 19.8612 8.14245 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.04551 7.49794 13.0811 11.8742 17.3996 6.36817 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 6.04551 7.49794 13.0811 5.44298 10.5277 8.0812 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 6.04551 7.49794 13.0811 9.10301 15.1421 4.17933 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 6.04551 7.49794 13.0811 7.24268 13.1766 5.54893 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 7.38928 7.99434 9.85208 12.2756 16.4493 8.22812 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 7.38928 7.99434 9.85208 8.12843 12.6567 4.22002 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 7.38928 7.99434 9.85208 8.16676 13.3553 5.77855 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 7.38928 7.99434 9.85208 9.72202 14.8248 8.10774 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 7.38928 7.99434 9.85208 12.7252 15.3951 6.5241 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 8.36915 5.43913 5.44336 5.39197 13.1828 8.65524 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 8.36915 5.43913 5.44336 9.53255 14.1645 8.96151 numMergedOcc 0
16 mol 48 unq 12 iso 0 dist 8.36915 5.43913 5.44336 7.75132 13.9106 9.02535 numMergedOcc 0
17 mol 48 unq 13 iso 0 dist 8.36915 8.26877 10.4965 5.39197 13.1828 8.22812 numMergedOcc 0
18 mol 48 unq 14 iso 0 dist 8.36915 8.26877 10.4965 9.53255 14.1645 4.22002 numMergedOcc 0
19 mol 48 unq 15 iso 0 dist 8.36915 8.26877 10.4965 7.75132 13.9106 5.77855 numMergedOcc 0
20 mol 48 unq 16 iso 0 dist 8.36915 8.26877 10.4965 14.2848 18.5601 8.10774 numMergedOcc 0
21 mol 48 unq 17 iso 0 dist 8.36915 8.26877 10.4965 12.4977 15.4297 6.5241 numMergedOcc 0
22 mol 48 unq 18 iso 0 dist 6.01454 5.43913 9.12054 5.39197 10.7828 8.65524 numMergedOcc 0
23 mol 48 unq 19 iso 0 dist 6.01454 5.43913 9.12054 9.53255 15.5159 8.96151 numMergedOcc 0
24 mol 48 unq 20 iso 0 dist 6.01454 5.43913 9.12054 7.75132 13.6904 9.02535 numMergedOcc 0
25 mol 48 unq 21 iso 0 dist 6.01454 8.26877 13.688 5.39197 10.7828 8.22812 numMergedOcc 0
26 mol 48 unq 22 iso 0 dist 6.01454 8.26877 13.688 9.53255 15.5159 4.22002 numMergedOcc 0
27 mol 48 unq 23 iso 0 dist 6.01454 8.26877 13.688 7.75132 13.6904 5.77855 numMergedOcc 0
28 mol 48 unq 24 iso 0 dist 6.01454 8.26877 13.688 14.2848 20.2838 8.10774 numMergedOcc 0
29 mol 48 unq 25 iso 0 dist 6.01454 8.26877 13.688 12.4977 17.9813 6.5241 numMergedOcc 0
30 mol 48 unq 26 iso 0 dist 6.31161 7.49794 5.91316 13.819 14.0478 8.14245 numMergedOcc 0
31 mol 48 unq 27 iso 0 dist 6.31161 7.49794 5.91316 11.8742 10.9951 6.36817 numMergedOcc 0
32 mol 48 unq 28 iso 0 dist 6.31161 7.49794 5.91316 5.44298 10.3111 8.0812 numMergedOcc 0
33 mol 48 unq 29 iso 0 dist 6.31161 7.49794 5.91316 9.10301 9.82031 4.17933 numMergedOcc 0
34 mol 48 unq 30 iso 0 dist 6.31161 7.49794 5.91316 7.24268 9.90517 5.54893 numMergedOcc 0
35 mol 63 unq 0 iso 0 dist 9.35912 6.89855 10.749 5.04771 9.21258 8.14512 numMergedOcc 0
36 mol 63 unq 1 iso 0 dist 9.35912 6.89855 10.749 9.54378 17.7036 9.13228 numMergedOcc 0
37 mol 79 unq 0 iso 0 dist 7.41952 4.2253 9.07516 8.65653 15.1302 6.20144 numMergedOcc 0
38 mol 90 unq 0 iso 0 dist 6.6146 8.63446 3.78122 4.77556 5.28331 5.24346 numMergedOcc 0
39 mol 92 unq 0 iso 0 dist 7.12199 4.91714 4.69684 3.63696 10.6664 8.10623 numMergedOcc 0
40 mol 92 unq 1 iso 0 dist 7.90837 4.91714 9.94373 3.63696 10.1337 8.10623 numMergedOcc 0
41 mol 143 unq 0 iso 0 dist 7.64085 9.99012 5.64264 11.9534 9.11815 4.3855 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 8.39345 6.97766 4.25519 5.86994 5.06194 4.87942 numMergedOcc 0
43 mol 186 unq 1 iso 0 dist 8.39345 4.79423 6.35206 5.86994 5.06194 7.25595 numMergedOcc 0
44 mol 186 unq 2 iso 0 dist 8.39345 4.79423 6.35206 8.74892 14.3749 9.94825 numMergedOcc 0
45 mol 230 unq 0 iso 0 dist 6.88683 8.01593 7.62813 4.45276 10.1927 9.47092 numMergedOcc 0
46 mol 233 unq 0 iso 0 dist 6.72499 6.33954 5.41858 8.8061 12.6297 7.83831 numMergedOcc 0
47 mol 233 unq 1 iso 0 dist 7.21238 6.33954 9.32494 8.8061 15.2219 7.83831 numMergedOcc 0
48 mol 253 unq 0 iso 0 dist 9.58767 9.31626 7.64377 13.3075 15.6665 8.66299 numMergedOcc 0
49 mol 266 unq 0 iso 0 dist 9.77392 6.48382 16.2409 5.79323 12.7077 6.96692 numMergedOcc 0
50 mol 266 unq 1 iso 0 dist 9.77392 6.48382 16.2409 7.52317 13.6284 8.25286 numMergedOcc 0
51 mol 266 unq 2 iso 0 dist 9.77392 6.48382 16.2409 9.52953 14.9038 9.9965 numMergedOcc 0
