D0A4LL AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 O UNL 1 1.823 0.954 -0.073 1.00 0.00 O HETATM 2 C UNL 1 1.737 0.418 1.313 1.00 0.00 C HETATM 3 C UNL 1 2.742 0.867 2.424 1.00 0.00 C HETATM 4 C UNL 1 3.909 1.677 2.234 1.00 0.00 C HETATM 5 N UNL 1 4.920 0.786 2.156 1.00 0.00 N HETATM 6 O UNL 1 4.565 -0.218 2.998 1.00 0.00 O HETATM 7 C UNL 1 3.290 0.038 3.428 1.00 0.00 C HETATM 8 C UNL 1 4.239 3.044 1.834 1.00 0.00 C HETATM 9 C UNL 1 5.606 3.400 1.847 1.00 0.00 C HETATM 10 C UNL 1 6.121 4.188 0.830 1.00 0.00 C HETATM 11 C UNL 1 5.250 4.721 -0.107 1.00 0.00 C HETATM 12 C UNL 1 3.882 4.715 0.159 1.00 0.00 C HETATM 13 C UNL 1 3.365 3.884 1.155 1.00 0.00 C HETATM 14 C UNL 1 2.901 -0.649 4.727 1.00 0.00 C HETATM 15 CL UNL 1 6.729 2.869 3.070 1.00 0.00 Cl HETATM 16 CL UNL 1 1.678 3.962 1.498 1.00 0.00 Cl HETATM 17 C UNL 1 2.352 0.012 5.982 1.00 0.00 C HETATM 18 C UNL 1 1.478 -0.862 5.126 1.00 0.00 C HETATM 19 C UNL 1 2.551 0.207 -1.134 1.00 0.00 C HETATM 20 C UNL 1 2.086 0.583 -2.581 1.00 0.00 C HETATM 21 C UNL 1 3.107 0.592 -3.796 1.00 0.00 C HETATM 22 N UNL 1 4.520 0.835 -3.475 1.00 0.00 N HETATM 23 C UNL 1 4.971 0.427 -2.136 1.00 0.00 C HETATM 24 C UNL 1 4.006 0.548 -0.974 1.00 0.00 C HETATM 25 C UNL 1 5.577 0.818 -4.423 1.00 0.00 C HETATM 26 S UNL 1 5.584 1.237 -6.140 1.00 0.00 S HETATM 27 C UNL 1 7.365 1.151 -6.246 1.00 0.00 C HETATM 28 C UNL 1 7.784 0.698 -4.998 1.00 0.00 C HETATM 29 N UNL 1 6.801 0.499 -4.041 1.00 0.00 N HETATM 30 C UNL 1 8.339 1.457 -7.291 1.00 0.00 C HETATM 31 C UNL 1 9.728 1.388 -6.998 1.00 0.00 C HETATM 32 C UNL 1 10.097 0.867 -5.742 1.00 0.00 C HETATM 33 C UNL 1 9.156 0.503 -4.778 1.00 0.00 C HETATM 34 C UNL 1 10.926 1.870 -7.801 1.00 0.00 C HETATM 35 N UNL 1 10.848 2.025 -9.194 1.00 0.00 N HETATM 36 O UNL 1 11.957 2.146 -7.188 1.00 0.00 O HETATM 37 S UNL 1 12.174 2.223 -10.201 1.00 0.00 S HETATM 38 N UNL 1 12.142 3.916 -10.508 1.00 0.00 N HETATM 39 C UNL 1 12.588 4.750 -9.390 1.00 0.00 C HETATM 40 C UNL 1 12.806 4.306 -11.781 1.00 0.00 C HETATM 41 O UNL 1 13.429 1.894 -9.551 1.00 0.00 O HETATM 42 O UNL 1 11.812 1.555 -11.429 1.00 0.00 O HETATM 43 H UNL 1 1.720 -0.677 1.261 1.00 0.00 H HETATM 44 H UNL 1 0.745 0.730 1.669 1.00 0.00 H HETATM 45 H UNL 1 7.195 4.321 0.738 1.00 0.00 H HETATM 46 H UNL 1 5.642 5.161 -1.017 1.00 0.00 H HETATM 47 H UNL 1 3.219 5.320 -0.453 1.00 0.00 H HETATM 48 H UNL 1 3.683 -1.353 5.022 1.00 0.00 H HETATM 49 H UNL 1 2.133 1.064 6.045 1.00 0.00 H HETATM 50 H UNL 1 2.659 -0.410 6.945 1.00 0.00 H HETATM 51 H UNL 1 0.676 -0.359 4.613 1.00 0.00 H HETATM 52 H UNL 1 1.251 -1.863 5.474 1.00 0.00 H HETATM 53 H UNL 1 2.351 -0.862 -0.983 1.00 0.00 H HETATM 54 H UNL 1 1.546 1.538 -2.559 1.00 0.00 H HETATM 55 H UNL 1 1.300 -0.142 -2.862 1.00 0.00 H HETATM 56 H UNL 1 2.765 1.379 -4.484 1.00 0.00 H HETATM 57 H UNL 1 3.006 -0.351 -4.350 1.00 0.00 H HETATM 58 H UNL 1 5.797 1.098 -1.862 1.00 0.00 H HETATM 59 H UNL 1 5.373 -0.591 -2.170 1.00 0.00 H HETATM 60 H UNL 1 4.388 -0.099 -0.179 1.00 0.00 H HETATM 61 H UNL 1 4.064 1.572 -0.603 1.00 0.00 H HETATM 62 H UNL 1 7.998 1.807 -8.263 1.00 0.00 H HETATM 63 H UNL 1 11.151 0.741 -5.487 1.00 0.00 H HETATM 64 H UNL 1 9.488 0.132 -3.810 1.00 0.00 H HETATM 65 H UNL 1 10.053 1.708 -9.728 1.00 0.00 H HETATM 66 H UNL 1 12.069 4.487 -8.469 1.00 0.00 H HETATM 67 H UNL 1 12.347 5.798 -9.606 1.00 0.00 H HETATM 68 H UNL 1 13.669 4.668 -9.243 1.00 0.00 H HETATM 69 H UNL 1 12.428 3.736 -12.634 1.00 0.00 H HETATM 70 H UNL 1 13.893 4.193 -11.718 1.00 0.00 H HETATM 71 H UNL 1 12.585 5.360 -11.989 1.00 0.00 H CONECT 1 2 19 CONECT 2 1 3 43 44 CONECT 3 2 4 7 CONECT 4 3 5 8 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 3 14 CONECT 8 4 9 13 CONECT 9 8 10 15 CONECT 10 9 11 45 CONECT 11 10 12 46 CONECT 12 11 13 47 CONECT 13 12 8 16 CONECT 14 7 17 18 48 CONECT 15 9 CONECT 16 13 CONECT 17 14 18 49 50 CONECT 18 17 14 51 52 CONECT 19 1 20 24 53 CONECT 20 19 21 54 55 CONECT 21 20 22 56 57 CONECT 22 21 23 25 CONECT 23 22 24 58 59 CONECT 24 23 19 60 61 CONECT 25 22 26 29 CONECT 26 25 27 CONECT 27 26 28 30 CONECT 28 27 29 33 CONECT 29 28 25 CONECT 30 27 31 62 CONECT 31 30 32 34 CONECT 32 31 33 63 CONECT 33 32 28 64 CONECT 34 35 36 31 CONECT 35 34 37 65 CONECT 36 34 CONECT 37 35 38 41 42 CONECT 38 37 39 40 CONECT 39 38 66 67 68 CONECT 40 38 69 70 71 CONECT 41 37 CONECT 42 37 CONECT 43 2 CONECT 44 2 CONECT 45 10 CONECT 46 11 CONECT 47 12 CONECT 48 14 CONECT 49 17 CONECT 50 17 CONECT 51 18 CONECT 52 18 CONECT 53 19 CONECT 54 20 CONECT 55 20 CONECT 56 21 CONECT 57 21 CONECT 58 23 CONECT 59 23 CONECT 60 24 CONECT 61 24 CONECT 62 30 CONECT 63 32 CONECT 64 33 CONECT 65 35 CONECT 66 39 CONECT 67 39 CONECT 68 39 CONECT 69 40 CONECT 70 40 CONECT 71 40 MASTER 0 0 0 0 0 0 0 0 71 0 71 0 END M END $$$$