D0Q9TO AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 O UNL 1 3.063 2.934 5.041 1.00 0.00 O HETATM 2 C UNL 1 4.458 2.634 5.070 1.00 0.00 C HETATM 3 C UNL 1 5.069 2.915 3.708 1.00 0.00 C HETATM 4 C UNL 1 4.845 4.379 3.341 1.00 0.00 C HETATM 5 C UNL 1 3.364 4.747 3.451 1.00 0.00 C HETATM 6 C UNL 1 2.807 4.318 4.806 1.00 0.00 C HETATM 7 S UNL 1 5.590 4.845 1.776 1.00 0.00 S HETATM 8 C UNL 1 4.907 3.775 0.506 1.00 0.00 C HETATM 9 C UNL 1 5.413 4.042 -0.937 1.00 0.00 C HETATM 10 C UNL 1 6.967 3.936 -1.115 1.00 0.00 C HETATM 11 N UNL 1 7.551 2.727 -0.791 1.00 0.00 N HETATM 12 C UNL 1 8.912 2.434 -0.817 1.00 0.00 C HETATM 13 S UNL 1 10.126 3.515 -1.345 1.00 0.00 S HETATM 14 C UNL 1 11.323 2.363 -0.858 1.00 0.00 C HETATM 15 N UNL 1 10.781 1.236 -0.431 1.00 0.00 N HETATM 16 N UNL 1 9.392 1.274 -0.419 1.00 0.00 N HETATM 17 C UNL 1 12.830 2.668 -0.799 1.00 0.00 C HETATM 18 C UNL 1 13.261 3.889 -1.637 1.00 0.00 C HETATM 19 C UNL 1 13.213 2.931 0.672 1.00 0.00 C HETATM 20 C UNL 1 13.656 1.465 -1.295 1.00 0.00 C HETATM 21 O UNL 1 7.586 4.892 -1.573 1.00 0.00 O HETATM 22 O UNL 1 5.172 6.211 1.512 1.00 0.00 O HETATM 23 O UNL 1 7.002 4.519 1.878 1.00 0.00 O HETATM 24 C UNL 1 4.702 3.041 -1.876 1.00 0.00 C HETATM 25 C UNL 1 4.967 5.446 -1.414 1.00 0.00 C HETATM 26 H UNL 1 4.566 1.572 5.317 1.00 0.00 H HETATM 27 H UNL 1 4.948 3.212 5.864 1.00 0.00 H HETATM 28 H UNL 1 4.581 2.273 2.961 1.00 0.00 H HETATM 29 H UNL 1 6.136 2.667 3.710 1.00 0.00 H HETATM 30 H UNL 1 5.390 4.995 4.077 1.00 0.00 H HETATM 31 H UNL 1 2.800 4.239 2.660 1.00 0.00 H HETATM 32 H UNL 1 3.211 5.824 3.319 1.00 0.00 H HETATM 33 H UNL 1 3.234 4.912 5.623 1.00 0.00 H HETATM 34 H UNL 1 1.722 4.463 4.829 1.00 0.00 H HETATM 35 H UNL 1 3.819 3.910 0.552 1.00 0.00 H HETATM 36 H UNL 1 5.134 2.745 0.801 1.00 0.00 H HETATM 37 H UNL 1 6.999 1.958 -0.441 1.00 0.00 H HETATM 38 H UNL 1 12.740 4.802 -1.335 1.00 0.00 H HETATM 39 H UNL 1 13.079 3.728 -2.707 1.00 0.00 H HETATM 40 H UNL 1 14.334 4.084 -1.518 1.00 0.00 H HETATM 41 H UNL 1 12.639 3.765 1.091 1.00 0.00 H HETATM 42 H UNL 1 14.276 3.176 0.771 1.00 0.00 H HETATM 43 H UNL 1 13.021 2.050 1.296 1.00 0.00 H HETATM 44 H UNL 1 13.491 1.267 -2.359 1.00 0.00 H HETATM 45 H UNL 1 13.429 0.547 -0.742 1.00 0.00 H HETATM 46 H UNL 1 14.736 1.654 -1.166 1.00 0.00 H HETATM 47 H UNL 1 5.041 2.013 -1.731 1.00 0.00 H HETATM 48 H UNL 1 4.864 3.297 -2.930 1.00 0.00 H HETATM 49 H UNL 1 3.614 3.058 -1.710 1.00 0.00 H HETATM 50 H UNL 1 5.485 6.248 -0.881 1.00 0.00 H HETATM 51 H UNL 1 3.888 5.590 -1.293 1.00 0.00 H HETATM 52 H UNL 1 5.203 5.594 -2.476 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 26 27 CONECT 3 2 4 28 29 CONECT 4 3 5 7 30 CONECT 5 4 6 31 32 CONECT 6 5 1 33 34 CONECT 7 4 8 22 23 CONECT 8 7 9 35 36 CONECT 9 8 10 24 25 CONECT 10 9 11 21 CONECT 11 10 12 37 CONECT 12 11 13 16 CONECT 13 12 14 CONECT 14 13 15 17 CONECT 15 14 16 CONECT 16 15 12 CONECT 17 14 18 19 20 CONECT 18 17 38 39 40 CONECT 19 17 41 42 43 CONECT 20 17 44 45 46 CONECT 21 10 CONECT 22 7 CONECT 23 7 CONECT 24 9 47 48 49 CONECT 25 9 50 51 52 CONECT 26 2 CONECT 27 2 CONECT 28 3 CONECT 29 3 CONECT 30 4 CONECT 31 5 CONECT 32 5 CONECT 33 6 CONECT 34 6 CONECT 35 8 CONECT 36 8 CONECT 37 11 CONECT 38 18 CONECT 39 18 CONECT 40 18 CONECT 41 19 CONECT 42 19 CONECT 43 19 CONECT 44 20 CONECT 45 20 CONECT 46 20 CONECT 47 24 CONECT 48 24 CONECT 49 24 CONECT 50 25 CONECT 51 25 CONECT 52 25 MASTER 0 0 0 0 0 0 0 0 52 0 52 0 END M END $$$$