0 mol 2 unq 0 iso 0 dist 6.89072 9.5866 8.3726 8.35692 7.2721 10.431 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.07476 9.89387 5.47299 9.46202 6.83186 7.27588 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.04534 9.85415 5.40468 9.26728 6.83186 7.16699 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.25138 11.1544 7.01397 6.13411 4.46067 7.90686 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 6.67863 6.01775 7.33426 9.54415 8.19144 9.71802 numMergedOcc 0
5 mol 101 unq 1 iso 0 dist 6.67863 12.2942 8.17175 9.54415 8.19144 4.97717 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 9.30187 7.09459 8.71826 9.55157 9.02015 4.80213 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.97414 4.65845 5.64732 7.13766 5.86767 3.60864 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 7.78577 11.8115 6.27378 3.69097 5.10589 10.1931 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 7.78577 11.8115 6.27378 7.14832 4.63336 10.5136 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 7.78577 11.8115 6.27378 8.01356 6.10715 10.212 numMergedOcc 0
11 mol 254 unq 0 iso 0 dist 7.89302 4.67942 9.83135 5.81468 7.85841 9.22906 numMergedOcc 0
12 mol 254 unq 1 iso 0 dist 7.89302 4.67942 9.83135 8.51317 9.20109 12.319 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 9.46576 9.87568 4.76164 3.48905 8.62655 9.45061 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 9.35293 11.141 7.74133 7.2339 6.96692 13.3554 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 9.35293 11.141 7.74133 12.15 8.25286 15.2892 numMergedOcc 0
16 mol 266 unq 2 iso 0 dist 9.35293 11.141 7.74133 14.8334 9.9965 16.6916 numMergedOcc 0
17 mol 266 unq 3 iso 0 dist 7.93375 12.1796 7.74133 3.87565 6.96692 13.3554 numMergedOcc 0
18 mol 266 unq 4 iso 0 dist 7.93375 12.1796 7.74133 9.25882 8.25286 15.2892 numMergedOcc 0
19 mol 266 unq 5 iso 0 dist 7.93375 12.1796 7.74133 12.1357 9.9965 16.6916 numMergedOcc 0
20 mol 268 unq 0 iso 0 dist 8.6577 6.35006 5.49906 3.43113 9.52476 6.07203 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 8.72101 13.3688 9.07744 14.313 7.98956 9.21484 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 8.72101 13.3688 9.07744 13.2017 5.86185 10.3506 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 8.72101 13.3688 9.07744 10.3346 6.79748 10.4629 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 8.72101 16.9673 8.42892 14.313 7.98956 7.73174 numMergedOcc 0
25 mol 277 unq 4 iso 0 dist 8.72101 16.9673 8.42892 13.2017 5.86185 5.42115 numMergedOcc 0
26 mol 277 unq 5 iso 0 dist 8.72101 16.9673 8.42892 10.3346 6.79748 12.6492 numMergedOcc 0
27 mol 277 unq 6 iso 0 dist 8.72101 8.45252 8.90967 14.313 7.98956 16.883 numMergedOcc 0
28 mol 277 unq 7 iso 0 dist 8.72101 8.45252 8.90967 13.2017 5.86185 14.5363 numMergedOcc 0
29 mol 277 unq 8 iso 0 dist 8.72101 8.45252 8.90967 10.3346 6.79748 5.91105 numMergedOcc 0
30 mol 277 unq 9 iso 0 dist 8.75619 8.45252 6.40861 10.3346 6.53598 5.91105 numMergedOcc 0
31 mol 277 unq 10 iso 0 dist 5.11998 12.5633 9.07744 7.31817 7.98956 9.21484 numMergedOcc 0
32 mol 277 unq 11 iso 0 dist 5.11998 12.5633 9.07744 3.91224 5.86185 10.3506 numMergedOcc 0
33 mol 277 unq 12 iso 0 dist 5.11998 12.5633 9.07744 10.8296 6.79748 10.4629 numMergedOcc 0
34 mol 277 unq 13 iso 0 dist 5.11998 5.10572 8.42892 7.31817 7.98956 7.73174 numMergedOcc 0
35 mol 277 unq 14 iso 0 dist 5.11998 5.10572 8.42892 3.91224 5.86185 5.42115 numMergedOcc 0
36 mol 277 unq 15 iso 0 dist 5.11998 5.10572 8.42892 10.8296 6.79748 12.6492 numMergedOcc 0
37 mol 277 unq 16 iso 0 dist 5.11998 12.1971 8.90967 7.31817 7.98956 16.883 numMergedOcc 0
38 mol 277 unq 17 iso 0 dist 5.11998 12.1971 8.90967 3.91224 5.86185 14.5363 numMergedOcc 0
39 mol 277 unq 18 iso 0 dist 5.11998 12.1971 8.90967 10.8296 6.79748 5.91105 numMergedOcc 0
40 mol 277 unq 19 iso 0 dist 5.79925 12.1971 6.40861 10.8296 6.53598 5.91105 numMergedOcc 0
41 mol 277 unq 20 iso 0 dist 8.55906 8.18751 6.40861 8.55356 6.53598 5.91105 numMergedOcc 0
42 mol 277 unq 21 iso 0 dist 5.55523 6.94318 6.40861 10.7151 6.53598 5.91105 numMergedOcc 0
43 mol 281 unq 0 iso 0 dist 9.13909 8.64726 6.62682 9.85344 5.33372 6.24691 numMergedOcc 0
44 mol 281 unq 1 iso 0 dist 9.13909 8.64726 6.62682 9.11195 6.56886 6.28551 numMergedOcc 0
45 mol 281 unq 2 iso 0 dist 6.82918 14.9508 9.39268 13.5758 7.90368 12.4082 numMergedOcc 0
46 mol 281 unq 3 iso 0 dist 6.82918 14.9508 9.39268 7.74065 6.69267 10.4439 numMergedOcc 0
47 mol 281 unq 4 iso 0 dist 6.82918 4.19307 9.06888 13.5758 7.90368 15.8562 numMergedOcc 0
48 mol 281 unq 5 iso 0 dist 6.82918 4.19307 9.06888 7.74065 6.69267 6.28551 numMergedOcc 0
49 mol 281 unq 6 iso 0 dist 4.29351 4.19307 6.62682 3.50686 5.33372 6.24691 numMergedOcc 0
50 mol 281 unq 7 iso 0 dist 4.29351 4.19307 6.62682 7.74065 6.56886 6.28551 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 9.40443 5.24841 5.44942 9.94473 6.24487 5.1451 numMergedOcc 0
52 mol 287 unq 1 iso 0 dist 9.40443 5.1508 8.53689 9.94473 6.24487 7.5241 numMergedOcc 0
53 mol 287 unq 2 iso 0 dist 9.40443 13.9608 7.82157 9.94473 6.24487 5.15725 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 9.40443 5.24841 5.44942 9.94473 6.24487 5.1451 numMergedOcc 0
55 mol 288 unq 1 iso 0 dist 9.40443 5.1508 8.53689 9.94473 6.24487 7.5241 numMergedOcc 0
56 mol 288 unq 2 iso 0 dist 9.40443 13.9608 7.82157 9.94473 6.24487 5.15725 numMergedOcc 0
57 mol 289 unq 0 iso 0 dist 9.40443 5.24841 5.44942 9.94473 6.24487 5.1451 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 9.40443 5.1508 8.53689 9.94473 6.24487 7.5241 numMergedOcc 0
59 mol 289 unq 2 iso 0 dist 9.40443 13.9608 7.82157 9.94473 6.24487 5.15725 numMergedOcc 0
