D0SH2Y AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.227 -5.064 2.917 1.00 0.00 C HETATM 2 C UNL 1 0.510 -5.487 4.199 1.00 0.00 C HETATM 3 C UNL 1 1.714 -5.129 4.738 1.00 0.00 C HETATM 4 C UNL 1 2.738 -4.546 3.934 1.00 0.00 C HETATM 5 C UNL 1 2.514 -4.594 2.514 1.00 0.00 C HETATM 6 C UNL 1 1.302 -5.138 2.030 1.00 0.00 C HETATM 7 N UNL 1 1.759 -5.244 6.059 1.00 0.00 N HETATM 8 C UNL 1 2.762 -4.653 6.666 1.00 0.00 C HETATM 9 N UNL 1 3.741 -3.992 6.059 1.00 0.00 N HETATM 10 C UNL 1 3.785 -3.998 4.703 1.00 0.00 C HETATM 11 O UNL 1 4.935 -3.382 4.141 1.00 0.00 O HETATM 12 C UNL 1 5.836 -2.879 5.083 1.00 0.00 C HETATM 13 C UNL 1 6.363 -3.676 6.114 1.00 0.00 C HETATM 14 C UNL 1 6.701 -3.090 7.346 1.00 0.00 C HETATM 15 C UNL 1 6.486 -1.726 7.492 1.00 0.00 C HETATM 16 C UNL 1 6.650 -1.007 6.304 1.00 0.00 C HETATM 17 C UNL 1 6.190 -1.533 5.097 1.00 0.00 C HETATM 18 O UNL 1 1.412 -6.548 1.734 1.00 0.00 O HETATM 19 O UNL 1 -0.629 -3.973 2.993 1.00 0.00 O HETATM 20 C UNL 1 1.939 -6.890 0.465 1.00 0.00 C HETATM 21 C UNL 1 -1.289 -3.648 1.786 1.00 0.00 C HETATM 22 CL UNL 1 7.974 0.123 6.228 1.00 0.00 Cl HETATM 23 N UNL 1 5.403 -1.272 8.372 1.00 0.00 N HETATM 24 C UNL 1 5.018 -1.870 9.576 1.00 0.00 C HETATM 25 N UNL 1 3.933 -1.182 10.230 1.00 0.00 N HETATM 26 O UNL 1 5.615 -2.852 10.010 1.00 0.00 O HETATM 27 C UNL 1 3.456 -1.534 11.599 1.00 0.00 C HETATM 28 C UNL 1 3.928 -2.776 12.018 1.00 0.00 C HETATM 29 C UNL 1 4.994 -2.764 12.919 1.00 0.00 C HETATM 30 C UNL 1 5.347 -1.574 13.532 1.00 0.00 C HETATM 31 C UNL 1 4.467 -0.487 13.485 1.00 0.00 C HETATM 32 C UNL 1 3.383 -0.528 12.597 1.00 0.00 C HETATM 33 C UNL 1 2.201 0.407 12.921 1.00 0.00 C HETATM 34 N UNL 1 1.303 0.083 14.048 1.00 0.00 N HETATM 35 C UNL 1 1.325 0.688 15.387 1.00 0.00 C HETATM 36 C UNL 1 -0.064 0.641 16.144 1.00 0.00 C HETATM 37 O UNL 1 -0.907 -0.481 15.836 1.00 0.00 O HETATM 38 C UNL 1 -0.913 -0.741 14.431 1.00 0.00 C HETATM 39 C UNL 1 0.502 -1.125 14.006 1.00 0.00 C HETATM 40 H UNL 1 -0.297 -5.785 4.859 1.00 0.00 H HETATM 41 H UNL 1 3.247 -4.198 1.809 1.00 0.00 H HETATM 42 H UNL 1 2.798 -4.702 7.748 1.00 0.00 H HETATM 43 H UNL 1 6.325 -4.758 6.037 1.00 0.00 H HETATM 44 H UNL 1 6.920 -3.728 8.197 1.00 0.00 H HETATM 45 H UNL 1 6.182 -0.936 4.193 1.00 0.00 H HETATM 46 H UNL 1 2.052 -7.980 0.478 1.00 0.00 H HETATM 47 H UNL 1 2.925 -6.452 0.297 1.00 0.00 H HETATM 48 H UNL 1 1.239 -6.644 -0.338 1.00 0.00 H HETATM 49 H UNL 1 -0.622 -3.108 1.109 1.00 0.00 H HETATM 50 H UNL 1 -2.117 -2.980 2.049 1.00 0.00 H HETATM 51 H UNL 1 -1.710 -4.539 1.315 1.00 0.00 H HETATM 52 H UNL 1 4.634 -0.869 7.850 1.00 0.00 H HETATM 53 H UNL 1 3.858 -0.202 9.998 1.00 0.00 H HETATM 54 H UNL 1 3.783 -3.657 11.400 1.00 0.00 H HETATM 55 H UNL 1 5.616 -3.647 13.035 1.00 0.00 H HETATM 56 H UNL 1 6.275 -1.496 14.088 1.00 0.00 H HETATM 57 H UNL 1 4.605 0.341 14.154 1.00 0.00 H HETATM 58 H UNL 1 1.574 0.499 12.022 1.00 0.00 H HETATM 59 H UNL 1 2.601 1.417 13.085 1.00 0.00 H HETATM 60 H UNL 1 1.632 1.739 15.360 1.00 0.00 H HETATM 61 H UNL 1 2.046 0.157 16.019 1.00 0.00 H HETATM 62 H UNL 1 -0.648 1.548 15.950 1.00 0.00 H HETATM 63 H UNL 1 0.101 0.601 17.229 1.00 0.00 H HETATM 64 H UNL 1 -1.277 0.147 13.892 1.00 0.00 H HETATM 65 H UNL 1 -1.613 -1.555 14.229 1.00 0.00 H HETATM 66 H UNL 1 0.482 -1.550 13.007 1.00 0.00 H HETATM 67 H UNL 1 0.915 -1.871 14.702 1.00 0.00 H CONECT 1 2 6 19 CONECT 2 1 3 40 CONECT 3 2 4 7 CONECT 4 3 5 10 CONECT 5 4 6 41 CONECT 6 5 1 18 CONECT 7 3 8 CONECT 8 7 9 42 CONECT 9 8 10 CONECT 10 9 4 11 CONECT 11 10 12 CONECT 12 11 13 17 CONECT 13 12 14 43 CONECT 14 13 15 44 CONECT 15 14 16 23 CONECT 16 15 17 22 CONECT 17 16 12 45 CONECT 18 6 20 CONECT 19 1 21 CONECT 20 18 46 47 48 CONECT 21 19 49 50 51 CONECT 22 16 CONECT 23 15 24 52 CONECT 24 23 25 26 CONECT 25 24 27 53 CONECT 26 24 CONECT 27 25 28 32 CONECT 28 27 29 54 CONECT 29 28 30 55 CONECT 30 29 31 56 CONECT 31 30 32 57 CONECT 32 31 27 33 CONECT 33 32 34 58 59 CONECT 34 33 35 39 CONECT 35 34 36 60 61 CONECT 36 35 37 62 63 CONECT 37 36 38 CONECT 38 37 39 64 65 CONECT 39 38 34 66 67 CONECT 40 2 CONECT 41 5 CONECT 42 8 CONECT 43 13 CONECT 44 14 CONECT 45 17 CONECT 46 20 CONECT 47 20 CONECT 48 20 CONECT 49 21 CONECT 50 21 CONECT 51 21 CONECT 52 23 CONECT 53 25 CONECT 54 28 CONECT 55 29 CONECT 56 30 CONECT 57 31 CONECT 58 33 CONECT 59 33 CONECT 60 35 CONECT 61 35 CONECT 62 36 CONECT 63 36 CONECT 64 38 CONECT 65 38 CONECT 66 39 CONECT 67 39 MASTER 0 0 0 0 0 0 0 0 67 0 67 0 END M END $$$$