D0PE1R AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.048 -1.482 -1.328 1.00 0.00 C HETATM 2 N UNL 1 1.133 -0.090 -1.278 1.00 0.00 N HETATM 3 C UNL 1 1.776 0.347 0.028 1.00 0.00 C HETATM 4 C UNL 1 0.338 -0.011 0.602 1.00 0.00 C HETATM 5 C UNL 1 -0.044 -1.531 -0.323 1.00 0.00 C HETATM 6 N UNL 1 -0.866 1.331 0.265 1.00 0.00 N HETATM 7 C UNL 1 -2.106 0.731 -0.994 1.00 0.00 C HETATM 8 C UNL 1 -1.671 -1.181 -1.368 1.00 0.00 C HETATM 9 C UNL 1 -2.194 -2.485 -1.996 1.00 0.00 C HETATM 10 C UNL 1 -1.507 2.086 1.372 1.00 0.00 C HETATM 11 C UNL 1 3.227 -0.418 -0.050 1.00 0.00 C HETATM 12 C UNL 1 3.965 -0.699 -1.216 1.00 0.00 C HETATM 13 C UNL 1 5.104 -1.540 -1.163 1.00 0.00 C HETATM 14 C UNL 1 5.405 -2.230 0.010 1.00 0.00 C HETATM 15 C UNL 1 4.692 -1.948 1.156 1.00 0.00 C HETATM 16 C UNL 1 3.852 -0.836 1.141 1.00 0.00 C HETATM 17 CL UNL 1 6.687 -3.373 0.078 1.00 0.00 Cl HETATM 18 O UNL 1 1.254 -2.193 -2.301 1.00 0.00 O HETATM 19 C UNL 1 -0.409 0.161 -1.266 1.00 0.00 C HETATM 20 C UNL 1 -1.655 -0.486 0.300 1.00 0.00 C HETATM 21 C UNL 1 -3.399 -0.663 -0.110 1.00 0.00 C HETATM 22 C UNL 1 -3.887 -0.415 -1.701 1.00 0.00 C HETATM 23 C UNL 1 -2.777 -0.025 -3.015 1.00 0.00 C HETATM 24 C UNL 1 -1.085 0.328 -2.848 1.00 0.00 C HETATM 25 N UNL 1 -4.624 -0.803 0.463 1.00 0.00 N HETATM 26 N UNL 1 -5.654 -0.735 -0.429 1.00 0.00 N HETATM 27 N UNL 1 -5.241 -0.588 -1.696 1.00 0.00 N HETATM 28 C UNL 1 -4.945 -0.741 1.865 1.00 0.00 C HETATM 29 C UNL 1 -3.147 -0.424 -4.431 1.00 0.00 C HETATM 30 N UNL 1 -1.307 -3.086 -2.870 1.00 0.00 N HETATM 31 O UNL 1 -3.226 -3.051 -1.646 1.00 0.00 O HETATM 32 C UNL 1 -1.468 -4.453 -3.315 1.00 0.00 C HETATM 33 H UNL 1 1.822 -0.218 0.988 1.00 0.00 H HETATM 34 H UNL 1 -2.912 1.473 -1.078 1.00 0.00 H HETATM 35 H UNL 1 -0.743 2.651 1.901 1.00 0.00 H HETATM 36 H UNL 1 -2.027 1.397 2.047 1.00 0.00 H HETATM 37 H UNL 1 -2.243 2.755 0.916 1.00 0.00 H HETATM 38 H UNL 1 3.666 -0.314 -2.188 1.00 0.00 H HETATM 39 H UNL 1 5.713 -1.706 -2.049 1.00 0.00 H HETATM 40 H UNL 1 4.848 -2.500 2.078 1.00 0.00 H HETATM 41 H UNL 1 4.313 0.020 1.673 1.00 0.00 H HETATM 42 H UNL 1 -1.455 -0.776 1.346 1.00 0.00 H HETATM 43 H UNL 1 -0.434 0.425 -3.707 1.00 0.00 H HETATM 44 H UNL 1 -4.039 -0.569 2.450 1.00 0.00 H HETATM 45 H UNL 1 -5.416 -1.682 2.157 1.00 0.00 H HETATM 46 H UNL 1 -5.641 0.090 2.031 1.00 0.00 H HETATM 47 H UNL 1 -2.244 -0.449 -5.052 1.00 0.00 H HETATM 48 H UNL 1 -3.874 0.254 -4.874 1.00 0.00 H HETATM 49 H UNL 1 -3.538 -1.448 -4.422 1.00 0.00 H HETATM 50 H UNL 1 -0.407 -2.644 -3.037 1.00 0.00 H HETATM 51 H UNL 1 -2.500 -4.797 -3.216 1.00 0.00 H HETATM 52 H UNL 1 -0.817 -5.101 -2.717 1.00 0.00 H HETATM 53 H UNL 1 -1.158 -4.515 -4.361 1.00 0.00 H CONECT 1 2 5 18 CONECT 2 1 3 19 CONECT 3 2 4 11 33 CONECT 4 3 5 6 CONECT 5 4 1 8 CONECT 6 4 7 10 CONECT 7 6 8 34 CONECT 8 7 5 9 CONECT 9 8 30 31 CONECT 10 6 35 36 37 CONECT 11 3 12 16 CONECT 12 11 13 38 CONECT 13 12 14 39 CONECT 14 13 15 17 CONECT 15 14 16 40 CONECT 16 15 11 41 CONECT 17 14 CONECT 18 1 CONECT 19 2 20 24 CONECT 20 19 21 42 CONECT 21 20 22 25 CONECT 22 21 23 27 CONECT 23 24 22 29 CONECT 24 23 19 43 CONECT 25 21 26 28 CONECT 26 25 27 CONECT 27 26 22 CONECT 28 25 44 45 46 CONECT 29 23 47 48 49 CONECT 30 9 32 50 CONECT 31 9 CONECT 32 30 51 52 53 CONECT 33 3 CONECT 34 7 CONECT 35 10 CONECT 36 10 CONECT 37 10 CONECT 38 12 CONECT 39 13 CONECT 40 15 CONECT 41 16 CONECT 42 20 CONECT 43 24 CONECT 44 28 CONECT 45 28 CONECT 46 28 CONECT 47 29 CONECT 48 29 CONECT 49 29 CONECT 50 30 CONECT 51 32 CONECT 52 32 CONECT 53 32 MASTER 0 0 0 0 0 0 0 0 53 0 53 0 END M END $$$$