D03MYI AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -2.075 2.856 3.329 1.00 0.00 C HETATM 2 C UNL 1 -3.395 3.211 3.215 1.00 0.00 C HETATM 3 C UNL 1 -3.808 1.383 1.583 1.00 0.00 C HETATM 4 C UNL 1 -2.401 1.061 1.832 1.00 0.00 C HETATM 5 N UNL 1 -1.599 1.815 2.646 1.00 0.00 N HETATM 6 O UNL 1 -1.721 -0.084 1.440 1.00 0.00 O HETATM 7 C UNL 1 -1.119 3.550 4.249 1.00 0.00 C HETATM 8 C UNL 1 -4.905 0.543 0.767 1.00 0.00 C HETATM 9 N UNL 1 -5.956 1.204 -0.302 1.00 0.00 N HETATM 10 C UNL 1 -7.453 1.372 -0.268 1.00 0.00 C HETATM 11 C UNL 1 -8.134 2.104 -1.588 1.00 0.00 C HETATM 12 O UNL 1 -8.154 1.141 0.735 1.00 0.00 O HETATM 13 C UNL 1 -7.246 2.545 -2.546 1.00 0.00 C HETATM 14 S UNL 1 -7.880 3.289 -3.904 1.00 0.00 S HETATM 15 C UNL 1 -9.525 3.258 -3.380 1.00 0.00 C HETATM 16 C UNL 1 -9.548 2.337 -2.242 1.00 0.00 C HETATM 17 C UNL 1 -10.734 1.493 -1.823 1.00 0.00 C HETATM 18 C UNL 1 -10.550 3.968 -4.492 1.00 0.00 C HETATM 19 C UNL 1 -11.951 4.489 -3.973 1.00 0.00 C HETATM 20 C UNL 1 -9.977 5.196 -5.443 1.00 0.00 C HETATM 21 C UNL 1 -9.275 4.997 -6.830 1.00 0.00 C HETATM 22 C UNL 1 -8.963 6.370 -7.536 1.00 0.00 C HETATM 23 N UNL 1 -8.435 7.443 -6.684 1.00 0.00 N HETATM 24 C UNL 1 -9.185 7.558 -5.435 1.00 0.00 C HETATM 25 C UNL 1 -9.136 6.229 -4.687 1.00 0.00 C HETATM 26 C UNL 1 -12.004 5.724 -3.070 1.00 0.00 C HETATM 27 C UNL 1 -4.256 2.494 2.353 1.00 0.00 C HETATM 28 C UNL 1 -5.698 2.923 2.366 1.00 0.00 C HETATM 29 C UNL 1 -5.546 1.050 -1.672 1.00 0.00 C HETATM 30 C UNL 1 -5.790 2.275 -2.498 1.00 0.00 C HETATM 31 C UNL 1 -0.231 0.083 1.376 1.00 0.00 C HETATM 32 C UNL 1 0.761 0.014 2.580 1.00 0.00 C HETATM 33 C UNL 1 0.911 -1.103 3.393 1.00 0.00 C HETATM 34 C UNL 1 1.815 -1.107 4.488 1.00 0.00 C HETATM 35 C UNL 1 2.517 0.061 4.760 1.00 0.00 C HETATM 36 C UNL 1 2.680 1.008 3.764 1.00 0.00 C HETATM 37 C UNL 1 1.754 1.025 2.715 1.00 0.00 C HETATM 38 H UNL 1 -3.774 4.038 3.814 1.00 0.00 H HETATM 39 H UNL 1 -1.553 4.486 4.649 1.00 0.00 H HETATM 40 H UNL 1 -0.198 3.823 3.732 1.00 0.00 H HETATM 41 H UNL 1 -0.862 2.918 5.106 1.00 0.00 H HETATM 42 H UNL 1 -5.491 -0.065 1.472 1.00 0.00 H HETATM 43 H UNL 1 -4.314 -0.152 0.163 1.00 0.00 H HETATM 44 H UNL 1 -10.406 0.447 -1.723 1.00 0.00 H HETATM 45 H UNL 1 -11.518 1.479 -2.591 1.00 0.00 H HETATM 46 H UNL 1 -11.176 1.792 -0.870 1.00 0.00 H HETATM 47 H UNL 1 -10.801 3.148 -5.184 1.00 0.00 H HETATM 48 H UNL 1 -12.535 3.684 -3.522 1.00 0.00 H HETATM 49 H UNL 1 -12.537 4.780 -4.865 1.00 0.00 H HETATM 50 H UNL 1 -10.895 5.711 -5.771 1.00 0.00 H HETATM 51 H UNL 1 -9.918 4.431 -7.517 1.00 0.00 H HETATM 52 H UNL 1 -8.336 4.446 -6.729 1.00 0.00 H HETATM 53 H UNL 1 -9.866 6.754 -8.028 1.00 0.00 H HETATM 54 H UNL 1 -8.239 6.215 -8.348 1.00 0.00 H HETATM 55 H UNL 1 -7.456 7.262 -6.467 1.00 0.00 H HETATM 56 H UNL 1 -10.219 7.862 -5.643 1.00 0.00 H HETATM 57 H UNL 1 -8.747 8.346 -4.814 1.00 0.00 H HETATM 58 H UNL 1 -9.467 6.351 -3.658 1.00 0.00 H HETATM 59 H UNL 1 -8.090 5.907 -4.643 1.00 0.00 H HETATM 60 H UNL 1 -11.533 5.534 -2.106 1.00 0.00 H HETATM 61 H UNL 1 -13.050 6.008 -2.885 1.00 0.00 H HETATM 62 H UNL 1 -11.555 6.612 -3.526 1.00 0.00 H HETATM 63 H UNL 1 -5.828 3.834 2.961 1.00 0.00 H HETATM 64 H UNL 1 -6.312 2.139 2.818 1.00 0.00 H HETATM 65 H UNL 1 -6.029 3.162 1.357 1.00 0.00 H HETATM 66 H UNL 1 -4.474 0.795 -1.702 1.00 0.00 H HETATM 67 H UNL 1 -6.098 0.156 -2.068 1.00 0.00 H HETATM 68 H UNL 1 -5.405 2.107 -3.503 1.00 0.00 H HETATM 69 H UNL 1 -5.284 3.137 -2.059 1.00 0.00 H HETATM 70 H UNL 1 -0.022 1.010 0.826 1.00 0.00 H HETATM 71 H UNL 1 0.114 -0.722 0.722 1.00 0.00 H HETATM 72 H UNL 1 0.335 -2.010 3.219 1.00 0.00 H HETATM 73 H UNL 1 1.948 -1.977 5.126 1.00 0.00 H HETATM 74 H UNL 1 2.807 0.293 5.784 1.00 0.00 H HETATM 75 H UNL 1 3.496 1.730 3.825 1.00 0.00 H HETATM 76 H UNL 1 1.802 1.863 2.026 1.00 0.00 H CONECT 1 2 5 7 CONECT 2 1 27 38 CONECT 3 4 8 27 CONECT 4 3 5 6 CONECT 5 4 1 CONECT 6 4 31 CONECT 7 1 39 40 41 CONECT 8 3 9 42 43 CONECT 9 8 10 29 CONECT 10 9 11 12 CONECT 11 10 13 16 CONECT 12 10 CONECT 13 11 14 30 CONECT 14 13 15 CONECT 15 14 16 18 CONECT 16 15 11 17 CONECT 17 16 44 45 46 CONECT 18 15 19 20 47 CONECT 19 18 26 48 49 CONECT 20 18 21 25 50 CONECT 21 20 22 51 52 CONECT 22 21 23 53 54 CONECT 23 22 24 55 CONECT 24 23 25 56 57 CONECT 25 24 20 58 59 CONECT 26 19 60 61 62 CONECT 27 2 3 28 CONECT 28 27 63 64 65 CONECT 29 9 30 66 67 CONECT 30 29 13 68 69 CONECT 31 6 32 70 71 CONECT 32 31 33 37 CONECT 33 32 34 72 CONECT 34 33 35 73 CONECT 35 34 36 74 CONECT 36 35 37 75 CONECT 37 36 32 76 CONECT 38 2 CONECT 39 7 CONECT 40 7 CONECT 41 7 CONECT 42 8 CONECT 43 8 CONECT 44 17 CONECT 45 17 CONECT 46 17 CONECT 47 18 CONECT 48 19 CONECT 49 19 CONECT 50 20 CONECT 51 21 CONECT 52 21 CONECT 53 22 CONECT 54 22 CONECT 55 23 CONECT 56 24 CONECT 57 24 CONECT 58 25 CONECT 59 25 CONECT 60 26 CONECT 61 26 CONECT 62 26 CONECT 63 28 CONECT 64 28 CONECT 65 28 CONECT 66 29 CONECT 67 29 CONECT 68 30 CONECT 69 30 CONECT 70 31 CONECT 71 31 CONECT 72 33 CONECT 73 34 CONECT 74 35 CONECT 75 36 CONECT 76 37 MASTER 0 0 0 0 0 0 0 0 76 0 76 0 END M END $$$$