0 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 7.15287 13.8674 6.8464 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41173 7.38748 10.1841 7.8893 15.8454 9.15183 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 6.98179 11.2497 9.75368 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 6.98179 12.4753 9.75368 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 6.33529 9.90876 9.15386 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 10.9729 9.90876 9.15386 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 7.8986 8.52643 7.05519 15.4665 12.2258 8.75668 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 7.8986 8.52643 7.05519 9.48441 6.6003 9.64871 numMergedOcc 0
8 mol 64 unq 4 iso 0 dist 7.8986 8.52643 7.05519 4.76091 6.44118 9.95118 numMergedOcc 0
9 mol 64 unq 5 iso 0 dist 7.24183 5.41357 7.05519 9.95527 12.2258 8.75668 numMergedOcc 0
10 mol 64 unq 6 iso 0 dist 7.24183 5.41357 7.05519 6.41829 6.6003 9.64871 numMergedOcc 0
11 mol 64 unq 7 iso 0 dist 7.24183 5.41357 7.05519 6.13923 6.44118 9.95118 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 12.3394 9.02288 6.3777 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 5.92936 7.48556 4.97519 7.52996 9.28253 6.4104 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 5.92936 9.47045 9.95663 10.5755 13.8253 9.04731 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 5.92936 9.47045 9.95663 9.80866 13.1851 9.85884 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 8.80388 6.11833 5.89806 11.5147 14.1524 9.94398 numMergedOcc 0
17 mol 105 unq 1 iso 0 dist 8.8689 7.12201 5.89806 9.36409 14.1524 9.94398 numMergedOcc 0
18 mol 105 unq 2 iso 0 dist 7.28156 6.11833 6.96209 11.5147 16.1249 9.94398 numMergedOcc 0
19 mol 105 unq 3 iso 0 dist 9.18139 7.12201 6.96209 9.36409 16.1249 9.94398 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 4.87509 12.982 6.5087 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 7.07421 7.6453 5.06265 4.80675 6.29026 8.00624 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 7.07421 7.6453 5.06265 7.01358 11.4199 8.42289 numMergedOcc 0
23 mol 129 unq 2 iso 0 dist 8.34427 9.52061 7.12885 5.99695 11.5151 8.59695 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 9.13646 5.32865 4.61905 12.348 12.9055 9.88662 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 16.6371 17.4721 9.99005 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 4.681 6.43406 4.71906 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.00683 9.52029 8.61406 18.5654 15.2431 9.44947 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 7.86207 8.57174 14.3078 9.18635 15.7208 9.9693 numMergedOcc 0
29 mol 220 unq 1 iso 0 dist 7.57712 5.25149 10.1832 6.19375 7.31105 5.39218 numMergedOcc 0
30 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 6.19375 10.2676 5.39218 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 6.87755 6.23882 7.49783 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 9.13126 4.71683 8.3795 5.52669 9.10613 9.44496 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 9.13126 4.71683 8.3795 7.77821 15.1991 7.87233 numMergedOcc 0
34 mol 236 unq 2 iso 0 dist 7.6402 7.74348 13.5224 6.49831 13.61 5.90804 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 8.70119 14.0261 6.29774 numMergedOcc 0
36 mol 239 unq 1 iso 0 dist 6.00654 9.01071 12.178 10.1972 15.6305 9.28258 numMergedOcc 0
37 mol 239 unq 2 iso 0 dist 9.59937 7.58554 5.94643 8.27566 12.985 7.78671 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 10.5547 16.5923 9.21656 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.78068 15.2652 9.04358 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 8.57305 6.33567 5.00751 6.51074 5.81927 7.69358 numMergedOcc 0
41 mol 258 unq 2 iso 0 dist 8.57305 6.33567 5.00751 5.57797 6.09782 7.57187 numMergedOcc 0
42 mol 258 unq 3 iso 0 dist 7.70189 8.10903 5.27718 9.78068 8.58088 9.04358 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 6.5875 10.2386 7.30472 numMergedOcc 0
44 mol 265 unq 0 iso 0 dist 9.50814 7.52632 3.89234 6.35501 9.72927 6.45326 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 7.23876 9.02749 8.88221 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 8.81903 8.04712 4.81768 5.28949 6.60309 6.03235 numMergedOcc 0
47 mol 277 unq 1 iso 0 dist 6.23539 6.66936 5.95045 7.44724 6.90434 4.81916 numMergedOcc 0
48 mol 293 unq 0 iso 0 dist 8.8788 4.72125 8.14268 5.66805 13.1135 5.44043 numMergedOcc 0
49 mol 293 unq 1 iso 0 dist 8.42712 6.42608 8.14268 9.35524 13.1135 5.44043 numMergedOcc 0
