D0O2TY AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.105 -0.139 -2.910 1.00 0.00 C HETATM 2 S UNL 1 0.425 0.508 -1.385 1.00 0.00 S HETATM 3 C UNL 1 0.750 2.256 -1.529 1.00 0.00 C HETATM 4 C UNL 1 0.325 3.145 -0.341 1.00 0.00 C HETATM 5 C UNL 1 -1.164 2.963 0.100 1.00 0.00 C HETATM 6 N UNL 1 -2.115 3.292 -0.841 1.00 0.00 N HETATM 7 C UNL 1 -3.490 3.208 -0.690 1.00 0.00 C HETATM 8 S UNL 1 -4.289 2.796 0.764 1.00 0.00 S HETATM 9 C UNL 1 -5.799 2.959 -0.066 1.00 0.00 C HETATM 10 N UNL 1 -5.638 3.305 -1.332 1.00 0.00 N HETATM 11 N UNL 1 -4.312 3.468 -1.684 1.00 0.00 N HETATM 12 C UNL 1 -7.170 2.710 0.578 1.00 0.00 C HETATM 13 C UNL 1 -7.229 3.193 2.043 1.00 0.00 C HETATM 14 C UNL 1 -8.266 3.489 -0.204 1.00 0.00 C HETATM 15 C UNL 1 -7.519 1.209 0.542 1.00 0.00 C HETATM 16 O UNL 1 -1.418 2.578 1.238 1.00 0.00 O HETATM 17 O UNL 1 -1.012 0.329 -1.438 1.00 0.00 O HETATM 18 O UNL 1 1.225 -0.031 -0.302 1.00 0.00 O HETATM 19 C UNL 1 1.235 2.888 0.883 1.00 0.00 C HETATM 20 C UNL 1 0.578 4.612 -0.759 1.00 0.00 C HETATM 21 C UNL 1 0.894 -1.647 -3.043 1.00 0.00 C HETATM 22 C UNL 1 1.456 -2.182 -4.364 1.00 0.00 C HETATM 23 C UNL 1 1.268 -3.682 -4.539 1.00 0.00 C HETATM 24 F UNL 1 0.627 -4.252 -3.501 1.00 0.00 F HETATM 25 F UNL 1 0.553 -3.941 -5.658 1.00 0.00 F HETATM 26 F UNL 1 2.464 -4.297 -4.674 1.00 0.00 F HETATM 27 O UNL 1 -8.409 3.050 -1.555 1.00 0.00 O HETATM 28 H UNL 1 2.174 0.101 -2.916 1.00 0.00 H HETATM 29 H UNL 1 0.616 0.393 -3.733 1.00 0.00 H HETATM 30 H UNL 1 0.241 2.572 -2.447 1.00 0.00 H HETATM 31 H UNL 1 1.830 2.349 -1.700 1.00 0.00 H HETATM 32 H UNL 1 -1.849 3.575 -1.772 1.00 0.00 H HETATM 33 H UNL 1 -6.931 4.244 2.130 1.00 0.00 H HETATM 34 H UNL 1 -6.579 2.600 2.695 1.00 0.00 H HETATM 35 H UNL 1 -8.246 3.104 2.445 1.00 0.00 H HETATM 36 H UNL 1 -8.061 4.569 -0.216 1.00 0.00 H HETATM 37 H UNL 1 -9.245 3.353 0.271 1.00 0.00 H HETATM 38 H UNL 1 -6.792 0.611 1.107 1.00 0.00 H HETATM 39 H UNL 1 -7.542 0.817 -0.480 1.00 0.00 H HETATM 40 H UNL 1 -8.505 1.027 0.987 1.00 0.00 H HETATM 41 H UNL 1 1.126 1.874 1.276 1.00 0.00 H HETATM 42 H UNL 1 0.982 3.569 1.706 1.00 0.00 H HETATM 43 H UNL 1 2.292 3.046 0.641 1.00 0.00 H HETATM 44 H UNL 1 0.055 4.872 -1.685 1.00 0.00 H HETATM 45 H UNL 1 1.648 4.788 -0.935 1.00 0.00 H HETATM 46 H UNL 1 0.251 5.312 0.016 1.00 0.00 H HETATM 47 H UNL 1 -0.177 -1.874 -2.984 1.00 0.00 H HETATM 48 H UNL 1 1.376 -2.163 -2.204 1.00 0.00 H HETATM 49 H UNL 1 2.526 -1.947 -4.427 1.00 0.00 H HETATM 50 H UNL 1 0.976 -1.661 -5.201 1.00 0.00 H HETATM 51 H UNL 1 -7.533 3.157 -1.978 1.00 0.00 H CONECT 1 2 21 28 29 CONECT 2 1 3 17 18 CONECT 3 2 4 30 31 CONECT 4 3 5 19 20 CONECT 5 4 6 16 CONECT 6 5 7 32 CONECT 7 6 8 11 CONECT 8 7 9 CONECT 9 8 10 12 CONECT 10 9 11 CONECT 11 10 7 CONECT 12 9 13 14 15 CONECT 13 12 33 34 35 CONECT 14 12 27 36 37 CONECT 15 12 38 39 40 CONECT 16 5 CONECT 17 2 CONECT 18 2 CONECT 19 4 41 42 43 CONECT 20 4 44 45 46 CONECT 21 1 22 47 48 CONECT 22 21 23 49 50 CONECT 23 22 24 25 26 CONECT 24 23 CONECT 25 23 CONECT 26 23 CONECT 27 14 51 CONECT 28 1 CONECT 29 1 CONECT 30 3 CONECT 31 3 CONECT 32 6 CONECT 33 13 CONECT 34 13 CONECT 35 13 CONECT 36 14 CONECT 37 14 CONECT 38 15 CONECT 39 15 CONECT 40 15 CONECT 41 19 CONECT 42 19 CONECT 43 19 CONECT 44 20 CONECT 45 20 CONECT 46 20 CONECT 47 21 CONECT 48 21 CONECT 49 22 CONECT 50 22 CONECT 51 27 MASTER 0 0 0 0 0 0 0 0 51 0 51 0 END M END $$$$