D08BCK AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.257 -0.038 0.725 1.00 0.00 C HETATM 2 C UNL 1 2.026 1.046 0.286 1.00 0.00 C HETATM 3 C UNL 1 1.446 2.346 -0.176 1.00 0.00 C HETATM 4 N UNL 1 0.509 2.977 0.459 1.00 0.00 N HETATM 5 C UNL 1 -0.126 2.339 1.648 1.00 0.00 C HETATM 6 C UNL 1 -0.841 1.117 1.180 1.00 0.00 C HETATM 7 N UNL 1 -0.149 0.056 0.661 1.00 0.00 N HETATM 8 C UNL 1 2.180 3.015 -1.295 1.00 0.00 C HETATM 9 C UNL 1 2.746 2.242 -2.322 1.00 0.00 C HETATM 10 C UNL 1 3.754 2.781 -3.122 1.00 0.00 C HETATM 11 C UNL 1 4.166 4.097 -2.919 1.00 0.00 C HETATM 12 C UNL 1 3.554 4.893 -1.949 1.00 0.00 C HETATM 13 C UNL 1 2.557 4.353 -1.132 1.00 0.00 C HETATM 14 C UNL 1 -1.090 3.337 2.306 1.00 0.00 C HETATM 15 N UNL 1 -2.135 0.870 1.126 1.00 0.00 N HETATM 16 N UNL 1 -2.299 -0.291 0.425 1.00 0.00 N HETATM 17 C UNL 1 -1.107 -0.719 0.048 1.00 0.00 C HETATM 18 CL UNL 1 5.481 4.724 -3.834 1.00 0.00 Cl HETATM 19 C UNL 1 -0.877 -1.681 -1.053 1.00 0.00 C HETATM 20 O UNL 1 -1.769 2.741 3.405 1.00 0.00 O HETATM 21 S UNL 1 -2.852 3.624 4.237 1.00 0.00 S HETATM 22 C UNL 1 1.829 -0.919 1.652 1.00 0.00 C HETATM 23 C UNL 1 3.080 -0.594 2.219 1.00 0.00 C HETATM 24 C UNL 1 3.842 0.467 1.723 1.00 0.00 C HETATM 25 C UNL 1 3.377 1.150 0.621 1.00 0.00 C HETATM 26 O UNL 1 -3.302 2.834 5.380 1.00 0.00 O HETATM 27 O UNL 1 -2.328 4.956 4.418 1.00 0.00 O HETATM 28 C UNL 1 -4.174 3.692 3.051 1.00 0.00 C HETATM 29 O UNL 1 4.954 0.864 2.419 1.00 0.00 O HETATM 30 C UNL 1 5.458 2.178 2.107 1.00 0.00 C HETATM 31 H UNL 1 0.629 2.074 2.404 1.00 0.00 H HETATM 32 H UNL 1 2.474 1.197 -2.450 1.00 0.00 H HETATM 33 H UNL 1 4.245 2.157 -3.864 1.00 0.00 H HETATM 34 H UNL 1 3.884 5.916 -1.790 1.00 0.00 H HETATM 35 H UNL 1 2.142 4.948 -0.321 1.00 0.00 H HETATM 36 H UNL 1 -1.813 3.691 1.567 1.00 0.00 H HETATM 37 H UNL 1 -0.517 4.202 2.667 1.00 0.00 H HETATM 38 H UNL 1 -1.845 -1.992 -1.466 1.00 0.00 H HETATM 39 H UNL 1 -0.340 -2.571 -0.723 1.00 0.00 H HETATM 40 H UNL 1 -0.329 -1.198 -1.868 1.00 0.00 H HETATM 41 H UNL 1 1.251 -1.732 2.091 1.00 0.00 H HETATM 42 H UNL 1 3.421 -1.119 3.109 1.00 0.00 H HETATM 43 H UNL 1 3.991 1.917 0.165 1.00 0.00 H HETATM 44 H UNL 1 -4.506 2.683 2.817 1.00 0.00 H HETATM 45 H UNL 1 -3.831 4.217 2.157 1.00 0.00 H HETATM 46 H UNL 1 -4.992 4.264 3.500 1.00 0.00 H HETATM 47 H UNL 1 5.989 2.572 2.974 1.00 0.00 H HETATM 48 H UNL 1 4.673 2.911 1.876 1.00 0.00 H HETATM 49 H UNL 1 6.161 2.105 1.269 1.00 0.00 H CONECT 1 2 7 22 CONECT 2 1 3 25 CONECT 3 2 4 8 CONECT 4 3 5 CONECT 5 4 6 14 31 CONECT 6 5 7 15 CONECT 7 6 1 17 CONECT 8 3 9 13 CONECT 9 8 10 32 CONECT 10 9 11 33 CONECT 11 10 12 18 CONECT 12 11 13 34 CONECT 13 12 8 35 CONECT 14 5 20 36 37 CONECT 15 6 16 CONECT 16 15 17 CONECT 17 16 7 19 CONECT 18 11 CONECT 19 17 38 39 40 CONECT 20 14 21 CONECT 21 20 26 27 28 CONECT 22 1 23 41 CONECT 23 22 24 42 CONECT 24 23 25 29 CONECT 25 24 2 43 CONECT 26 21 CONECT 27 21 CONECT 28 21 44 45 46 CONECT 29 24 30 CONECT 30 29 47 48 49 CONECT 31 5 CONECT 32 9 CONECT 33 10 CONECT 34 12 CONECT 35 13 CONECT 36 14 CONECT 37 14 CONECT 38 19 CONECT 39 19 CONECT 40 19 CONECT 41 22 CONECT 42 23 CONECT 43 25 CONECT 44 28 CONECT 45 28 CONECT 46 28 CONECT 47 30 CONECT 48 30 CONECT 49 30 MASTER 0 0 0 0 0 0 0 0 49 0 49 0 END M END $$$$