D0NB2K AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.982 -1.300 0.919 1.00 0.00 C HETATM 2 C UNL 1 -2.147 -0.656 1.287 1.00 0.00 C HETATM 3 C UNL 1 -2.029 0.649 1.776 1.00 0.00 C HETATM 4 C UNL 1 -0.770 1.297 1.788 1.00 0.00 C HETATM 5 C UNL 1 0.056 0.834 0.762 1.00 0.00 C HETATM 6 C UNL 1 0.061 -0.535 0.436 1.00 0.00 C HETATM 7 C UNL 1 -0.553 2.458 2.766 1.00 0.00 C HETATM 8 C UNL 1 0.643 3.201 3.172 1.00 0.00 C HETATM 9 N UNL 1 0.411 4.319 2.320 1.00 0.00 N HETATM 10 C UNL 1 -0.910 4.710 2.592 1.00 0.00 C HETATM 11 C UNL 1 -1.544 3.476 2.751 1.00 0.00 C HETATM 12 C UNL 1 1.432 3.711 4.436 1.00 0.00 C HETATM 13 C UNL 1 0.903 4.239 5.636 1.00 0.00 C HETATM 14 C UNL 1 1.653 5.172 6.476 1.00 0.00 C HETATM 15 C UNL 1 2.943 5.609 6.141 1.00 0.00 C HETATM 16 C UNL 1 3.528 4.965 5.051 1.00 0.00 C HETATM 17 C UNL 1 2.807 4.033 4.233 1.00 0.00 C HETATM 18 O UNL 1 3.444 6.859 6.493 1.00 0.00 O HETATM 19 C UNL 1 -1.696 5.933 2.758 1.00 0.00 C HETATM 20 O UNL 1 -2.929 5.853 2.670 1.00 0.00 O HETATM 21 N UNL 1 -1.176 7.143 3.210 1.00 0.00 N HETATM 22 C UNL 1 -2.104 8.130 3.778 1.00 0.00 C HETATM 23 C UNL 1 -1.403 9.168 4.683 1.00 0.00 C HETATM 24 C UNL 1 -0.220 9.923 3.979 1.00 0.00 C HETATM 25 C UNL 1 0.046 9.158 2.629 1.00 0.00 C HETATM 26 C UNL 1 0.143 7.643 2.897 1.00 0.00 C HETATM 27 C UNL 1 1.131 9.791 4.768 1.00 0.00 C HETATM 28 N UNL 1 1.132 9.755 6.110 1.00 0.00 N HETATM 29 O UNL 1 2.224 9.712 4.171 1.00 0.00 O HETATM 30 C UNL 1 -0.421 11.464 3.784 1.00 0.00 C HETATM 31 C UNL 1 -1.232 12.278 4.607 1.00 0.00 C HETATM 32 C UNL 1 -1.047 13.673 4.656 1.00 0.00 C HETATM 33 C UNL 1 -0.032 14.275 3.922 1.00 0.00 C HETATM 34 C UNL 1 0.660 13.520 2.986 1.00 0.00 C HETATM 35 C UNL 1 0.444 12.142 2.902 1.00 0.00 C HETATM 36 CL UNL 1 -0.574 -2.743 1.788 1.00 0.00 Cl HETATM 37 CL UNL 1 0.083 1.773 -0.754 1.00 0.00 Cl HETATM 38 C UNL 1 1.096 4.183 1.032 1.00 0.00 C HETATM 39 C UNL 1 4.073 7.089 7.758 1.00 0.00 C HETATM 40 C UNL 1 4.412 8.589 8.131 1.00 0.00 C HETATM 41 N UNL 1 4.446 9.528 7.142 1.00 0.00 N HETATM 42 O UNL 1 4.671 8.928 9.288 1.00 0.00 O HETATM 43 H UNL 1 -3.091 -1.193 1.330 1.00 0.00 H HETATM 44 H UNL 1 -2.920 1.121 2.168 1.00 0.00 H HETATM 45 H UNL 1 0.596 -0.922 -0.433 1.00 0.00 H HETATM 46 H UNL 1 -2.614 3.352 2.620 1.00 0.00 H HETATM 47 H UNL 1 -0.129 4.037 5.914 1.00 0.00 H HETATM 48 H UNL 1 1.157 5.617 7.338 1.00 0.00 H HETATM 49 H UNL 1 4.532 5.242 4.742 1.00 0.00 H HETATM 50 H UNL 1 3.292 3.665 3.344 1.00 0.00 H HETATM 51 H UNL 1 -2.883 7.617 4.355 1.00 0.00 H HETATM 52 H UNL 1 -2.620 8.642 2.952 1.00 0.00 H HETATM 53 H UNL 1 -1.038 8.625 5.562 1.00 0.00 H HETATM 54 H UNL 1 -2.176 9.847 5.058 1.00 0.00 H HETATM 55 H UNL 1 0.989 9.460 2.173 1.00 0.00 H HETATM 56 H UNL 1 -0.737 9.386 1.890 1.00 0.00 H HETATM 57 H UNL 1 0.773 7.419 3.763 1.00 0.00 H HETATM 58 H UNL 1 0.550 7.126 2.028 1.00 0.00 H HETATM 59 H UNL 1 0.344 10.127 6.617 1.00 0.00 H HETATM 60 H UNL 1 2.048 9.755 6.543 1.00 0.00 H HETATM 61 H UNL 1 -2.000 11.874 5.258 1.00 0.00 H HETATM 62 H UNL 1 -1.667 14.291 5.305 1.00 0.00 H HETATM 63 H UNL 1 0.223 15.321 4.077 1.00 0.00 H HETATM 64 H UNL 1 1.403 13.990 2.348 1.00 0.00 H HETATM 65 H UNL 1 1.051 11.597 2.184 1.00 0.00 H HETATM 66 H UNL 1 1.973 4.825 1.011 1.00 0.00 H HETATM 67 H UNL 1 0.401 4.361 0.214 1.00 0.00 H HETATM 68 H UNL 1 1.497 3.161 0.961 1.00 0.00 H HETATM 69 H UNL 1 5.037 6.565 7.788 1.00 0.00 H HETATM 70 H UNL 1 3.434 6.728 8.571 1.00 0.00 H HETATM 71 H UNL 1 4.423 9.234 6.174 1.00 0.00 H HETATM 72 H UNL 1 4.769 10.471 7.373 1.00 0.00 H CONECT 1 2 6 36 CONECT 2 1 3 43 CONECT 3 2 4 44 CONECT 4 3 5 7 CONECT 5 4 6 37 CONECT 6 5 1 45 CONECT 7 4 8 11 CONECT 8 7 9 12 CONECT 9 8 10 38 CONECT 10 9 11 19 CONECT 11 10 7 46 CONECT 12 8 13 17 CONECT 13 12 14 47 CONECT 14 13 15 48 CONECT 15 14 16 18 CONECT 16 15 17 49 CONECT 17 16 12 50 CONECT 18 15 39 CONECT 19 10 20 21 CONECT 20 19 CONECT 21 19 22 26 CONECT 22 21 23 51 52 CONECT 23 22 24 53 54 CONECT 24 23 25 27 30 CONECT 25 24 26 55 56 CONECT 26 25 21 57 58 CONECT 27 24 28 29 CONECT 28 27 59 60 CONECT 29 27 CONECT 30 24 31 35 CONECT 31 30 32 61 CONECT 32 31 33 62 CONECT 33 32 34 63 CONECT 34 33 35 64 CONECT 35 34 30 65 CONECT 36 1 CONECT 37 5 CONECT 38 9 66 67 68 CONECT 39 18 40 69 70 CONECT 40 39 41 42 CONECT 41 40 71 72 CONECT 42 40 CONECT 43 2 CONECT 44 3 CONECT 45 6 CONECT 46 11 CONECT 47 13 CONECT 48 14 CONECT 49 16 CONECT 50 17 CONECT 51 22 CONECT 52 22 CONECT 53 23 CONECT 54 23 CONECT 55 25 CONECT 56 25 CONECT 57 26 CONECT 58 26 CONECT 59 28 CONECT 60 28 CONECT 61 31 CONECT 62 32 CONECT 63 33 CONECT 64 34 CONECT 65 35 CONECT 66 38 CONECT 67 38 CONECT 68 38 CONECT 69 39 CONECT 70 39 CONECT 71 41 CONECT 72 41 MASTER 0 0 0 0 0 0 0 0 72 0 72 0 END M END $$$$