D0KR2T AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.769 1.094 -0.363 1.00 0.00 C HETATM 2 C UNL 1 3.766 1.846 -1.026 1.00 0.00 C HETATM 3 C UNL 1 4.967 1.219 -1.393 1.00 0.00 C HETATM 4 C UNL 1 5.056 -0.134 -1.097 1.00 0.00 C HETATM 5 C UNL 1 3.826 -0.758 -1.312 1.00 0.00 C HETATM 6 C UNL 1 2.889 -0.306 -0.399 1.00 0.00 C HETATM 7 CL UNL 1 3.600 3.538 -1.267 1.00 0.00 Cl HETATM 8 C UNL 1 3.202 -0.650 -2.756 1.00 0.00 C HETATM 9 C UNL 1 2.413 -1.241 0.658 1.00 0.00 C HETATM 10 N UNL 1 2.400 -2.596 0.308 1.00 0.00 N HETATM 11 O UNL 1 2.127 -0.805 1.767 1.00 0.00 O HETATM 12 C UNL 1 2.649 -3.651 1.293 1.00 0.00 C HETATM 13 C UNL 1 1.517 -4.637 1.536 1.00 0.00 C HETATM 14 C UNL 1 2.045 -6.010 1.973 1.00 0.00 C HETATM 15 N UNL 1 1.090 -6.997 2.128 1.00 0.00 N HETATM 16 C UNL 1 -0.255 -6.806 2.020 1.00 0.00 C HETATM 17 C UNL 1 -0.731 -5.593 1.735 1.00 0.00 C HETATM 18 C UNL 1 0.172 -4.476 1.469 1.00 0.00 C HETATM 19 N UNL 1 1.392 -8.305 2.557 1.00 0.00 N HETATM 20 C UNL 1 0.131 -9.055 2.587 1.00 0.00 C HETATM 21 C UNL 1 -0.998 -8.059 2.321 1.00 0.00 C HETATM 22 C UNL 1 -0.525 -3.165 1.216 1.00 0.00 C HETATM 23 C UNL 1 -0.719 -2.786 -0.266 1.00 0.00 C HETATM 24 N UNL 1 -1.587 -3.641 -1.096 1.00 0.00 N HETATM 25 C UNL 1 -2.966 -3.673 -0.615 1.00 0.00 C HETATM 26 C UNL 1 -1.558 -3.128 -2.471 1.00 0.00 C HETATM 27 O UNL 1 3.253 -6.183 2.143 1.00 0.00 O HETATM 28 N UNL 1 5.923 -0.492 -0.027 1.00 0.00 N HETATM 29 C UNL 1 5.753 0.283 1.243 1.00 0.00 C HETATM 30 C UNL 1 6.546 -1.830 0.178 1.00 0.00 C HETATM 31 C UNL 1 8.081 -1.694 0.078 1.00 0.00 C HETATM 32 C UNL 1 8.891 -3.005 0.019 1.00 0.00 C HETATM 33 C UNL 1 8.237 -4.154 -0.787 1.00 0.00 C HETATM 34 C UNL 1 6.754 -4.233 -0.385 1.00 0.00 C HETATM 35 C UNL 1 6.055 -2.928 -0.743 1.00 0.00 C HETATM 36 N UNL 1 8.925 -5.460 -0.601 1.00 0.00 N HETATM 37 C UNL 1 8.242 -6.545 -1.326 1.00 0.00 C HETATM 38 C UNL 1 10.321 -5.427 -1.054 1.00 0.00 C HETATM 39 C UNL 1 6.888 1.271 1.451 1.00 0.00 C HETATM 40 H UNL 1 1.989 1.583 0.208 1.00 0.00 H HETATM 41 H UNL 1 5.858 1.790 -1.630 1.00 0.00 H HETATM 42 H UNL 1 3.963 -0.677 -3.539 1.00 0.00 H HETATM 43 H UNL 1 2.642 0.294 -2.890 1.00 0.00 H HETATM 44 H UNL 1 2.476 -1.454 -2.911 1.00 0.00 H HETATM 45 H UNL 1 2.648 -2.827 -0.638 1.00 0.00 H HETATM 46 H UNL 1 3.482 -4.196 0.838 1.00 0.00 H HETATM 47 H UNL 1 3.010 -3.230 2.232 1.00 0.00 H HETATM 48 H UNL 1 -1.803 -5.427 1.720 1.00 0.00 H HETATM 49 H UNL 1 2.037 -8.702 1.867 1.00 0.00 H HETATM 50 H UNL 1 0.131 -9.843 1.826 1.00 0.00 H HETATM 51 H UNL 1 0.006 -9.536 3.563 1.00 0.00 H HETATM 52 H UNL 1 -1.638 -7.943 3.205 1.00 0.00 H HETATM 53 H UNL 1 -1.605 -8.371 1.462 1.00 0.00 H HETATM 54 H UNL 1 0.042 -2.365 1.697 1.00 0.00 H HETATM 55 H UNL 1 -1.501 -3.124 1.739 1.00 0.00 H HETATM 56 H UNL 1 0.264 -2.792 -0.746 1.00 0.00 H HETATM 57 H UNL 1 -1.069 -1.745 -0.302 1.00 0.00 H HETATM 58 H UNL 1 -3.040 -4.181 0.350 1.00 0.00 H HETATM 59 H UNL 1 -3.596 -4.248 -1.302 1.00 0.00 H HETATM 60 H UNL 1 -3.393 -2.670 -0.511 1.00 0.00 H HETATM 61 H UNL 1 -0.537 -3.157 -2.871 1.00 0.00 H HETATM 62 H UNL 1 -1.916 -2.092 -2.525 1.00 0.00 H HETATM 63 H UNL 1 -2.173 -3.744 -3.134 1.00 0.00 H HETATM 64 H UNL 1 5.703 -0.392 2.107 1.00 0.00 H HETATM 65 H UNL 1 4.809 0.832 1.287 1.00 0.00 H HETATM 66 H UNL 1 6.316 -2.165 1.201 1.00 0.00 H HETATM 67 H UNL 1 8.450 -1.134 0.946 1.00 0.00 H HETATM 68 H UNL 1 8.330 -1.082 -0.797 1.00 0.00 H HETATM 69 H UNL 1 9.085 -3.339 1.047 1.00 0.00 H HETATM 70 H UNL 1 9.871 -2.757 -0.410 1.00 0.00 H HETATM 71 H UNL 1 8.288 -3.885 -1.851 1.00 0.00 H HETATM 72 H UNL 1 6.666 -4.440 0.692 1.00 0.00 H HETATM 73 H UNL 1 6.222 -5.030 -0.907 1.00 0.00 H HETATM 74 H UNL 1 4.980 -3.078 -0.637 1.00 0.00 H HETATM 75 H UNL 1 6.251 -2.674 -1.792 1.00 0.00 H HETATM 76 H UNL 1 7.276 -6.785 -0.872 1.00 0.00 H HETATM 77 H UNL 1 8.814 -7.478 -1.278 1.00 0.00 H HETATM 78 H UNL 1 8.087 -6.292 -2.381 1.00 0.00 H HETATM 79 H UNL 1 10.924 -4.733 -0.462 1.00 0.00 H HETATM 80 H UNL 1 10.402 -5.158 -2.113 1.00 0.00 H HETATM 81 H UNL 1 10.789 -6.411 -0.920 1.00 0.00 H HETATM 82 H UNL 1 7.833 0.761 1.642 1.00 0.00 H HETATM 83 H UNL 1 6.679 1.903 2.320 1.00 0.00 H HETATM 84 H UNL 1 7.024 1.919 0.581 1.00 0.00 H CONECT 1 2 6 40 CONECT 2 1 3 7 CONECT 3 2 4 41 CONECT 4 3 5 28 CONECT 5 4 6 8 CONECT 6 5 1 9 CONECT 7 2 CONECT 8 5 42 43 44 CONECT 9 6 10 11 CONECT 10 9 12 45 CONECT 11 9 CONECT 12 10 13 46 47 CONECT 13 12 14 18 CONECT 14 13 15 27 CONECT 15 14 16 19 CONECT 16 15 17 21 CONECT 17 16 18 48 CONECT 18 17 13 22 CONECT 19 15 20 49 CONECT 20 19 21 50 51 CONECT 21 20 16 52 53 CONECT 22 18 23 54 55 CONECT 23 22 24 56 57 CONECT 24 23 25 26 CONECT 25 24 58 59 60 CONECT 26 24 61 62 63 CONECT 27 14 CONECT 28 4 29 30 CONECT 29 28 39 64 65 CONECT 30 28 31 35 66 CONECT 31 30 32 67 68 CONECT 32 31 33 69 70 CONECT 33 32 34 36 71 CONECT 34 33 35 72 73 CONECT 35 34 30 74 75 CONECT 36 33 37 38 CONECT 37 36 76 77 78 CONECT 38 36 79 80 81 CONECT 39 29 82 83 84 CONECT 40 1 CONECT 41 3 CONECT 42 8 CONECT 43 8 CONECT 44 8 CONECT 45 10 CONECT 46 12 CONECT 47 12 CONECT 48 17 CONECT 49 19 CONECT 50 20 CONECT 51 20 CONECT 52 21 CONECT 53 21 CONECT 54 22 CONECT 55 22 CONECT 56 23 CONECT 57 23 CONECT 58 25 CONECT 59 25 CONECT 60 25 CONECT 61 26 CONECT 62 26 CONECT 63 26 CONECT 64 29 CONECT 65 29 CONECT 66 30 CONECT 67 31 CONECT 68 31 CONECT 69 32 CONECT 70 32 CONECT 71 33 CONECT 72 34 CONECT 73 34 CONECT 74 35 CONECT 75 35 CONECT 76 37 CONECT 77 37 CONECT 78 37 CONECT 79 38 CONECT 80 38 CONECT 81 38 CONECT 82 39 CONECT 83 39 CONECT 84 39 MASTER 0 0 0 0 0 0 0 0 84 0 84 0 END M END $$$$