D09BXO AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.609 3.043 2.716 1.00 0.00 C HETATM 2 C UNL 1 2.601 3.117 4.212 1.00 0.00 C HETATM 3 C UNL 1 3.218 4.622 4.549 1.00 0.00 C HETATM 4 C UNL 1 4.075 5.375 3.302 1.00 0.00 C HETATM 5 C UNL 1 4.740 4.347 2.377 1.00 0.00 C HETATM 6 C UNL 1 3.717 3.406 1.821 1.00 0.00 C HETATM 7 C UNL 1 5.233 6.434 3.560 1.00 0.00 C HETATM 8 C UNL 1 6.709 5.971 3.794 1.00 0.00 C HETATM 9 C UNL 1 7.052 4.488 3.511 1.00 0.00 C HETATM 10 C UNL 1 5.777 3.676 3.315 1.00 0.00 C HETATM 11 C UNL 1 8.179 4.152 2.485 1.00 0.00 C HETATM 12 C UNL 1 8.099 2.676 1.873 1.00 0.00 C HETATM 13 C UNL 1 6.740 1.941 1.877 1.00 0.00 C HETATM 14 C UNL 1 6.008 2.194 3.159 1.00 0.00 C HETATM 15 C UNL 1 9.595 4.113 3.152 1.00 0.00 C HETATM 16 C UNL 1 9.567 2.783 3.912 1.00 0.00 C HETATM 17 C UNL 1 9.007 1.793 2.900 1.00 0.00 C HETATM 18 O UNL 1 1.148 2.618 4.592 1.00 0.00 O HETATM 19 H UNL 1 7.436 4.148 4.479 1.00 0.00 H HETATM 20 C UNL 1 8.414 2.778 0.341 1.00 0.00 C HETATM 21 O UNL 1 8.219 5.178 1.498 1.00 0.00 O HETATM 22 C UNL 1 10.032 0.928 2.280 1.00 0.00 C HETATM 23 H UNL 1 3.240 2.378 4.711 1.00 0.00 H HETATM 24 H UNL 1 3.301 5.925 2.749 1.00 0.00 H HETATM 25 H UNL 1 5.373 3.683 4.328 1.00 0.00 H HETATM 26 O UNL 1 2.483 1.728 2.333 1.00 0.00 O HETATM 27 C UNL 1 11.326 0.910 2.564 1.00 0.00 C HETATM 28 C UNL 1 11.958 0.578 1.305 1.00 0.00 C HETATM 29 O UNL 1 11.044 -0.032 0.509 1.00 0.00 O HETATM 30 C UNL 1 9.787 -0.009 1.183 1.00 0.00 C HETATM 31 O UNL 1 13.089 0.915 1.004 1.00 0.00 O HETATM 32 C UNL 1 1.200 1.290 2.502 1.00 0.00 C HETATM 33 C UNL 1 -0.036 2.179 1.861 1.00 0.00 C HETATM 34 C UNL 1 -0.831 1.101 1.234 1.00 0.00 C HETATM 35 C UNL 1 -1.165 0.105 2.363 1.00 0.00 C HETATM 36 O UNL 1 -0.558 0.445 3.786 1.00 0.00 O HETATM 37 C UNL 1 0.824 1.192 3.933 1.00 0.00 C HETATM 38 S UNL 1 -1.339 3.068 2.994 1.00 0.00 S HETATM 39 C UNL 1 -0.804 4.628 2.392 1.00 0.00 C HETATM 40 C UNL 1 -0.350 4.255 1.006 1.00 0.00 C HETATM 41 N UNL 1 0.273 3.135 0.751 1.00 0.00 N HETATM 42 O UNL 1 1.402 -0.077 2.033 1.00 0.00 O HETATM 43 H UNL 1 1.394 0.511 4.574 1.00 0.00 H HETATM 44 H UNL 1 -2.248 0.194 2.528 1.00 0.00 H HETATM 45 C UNL 1 -0.980 -1.311 1.715 1.00 0.00 C HETATM 46 C UNL 1 5.222 4.935 1.031 1.00 0.00 C HETATM 47 O UNL 1 4.745 5.949 0.522 1.00 0.00 O HETATM 48 H UNL 1 1.780 3.673 2.418 1.00 0.00 H HETATM 49 H UNL 1 3.915 4.508 5.393 1.00 0.00 H HETATM 50 H UNL 1 2.444 5.304 4.913 1.00 0.00 H HETATM 51 H UNL 1 4.197 2.523 1.386 1.00 0.00 H HETATM 52 H UNL 1 3.224 3.825 0.934 1.00 0.00 H HETATM 53 H UNL 1 5.320 7.008 2.621 1.00 0.00 H HETATM 54 H UNL 1 4.953 7.196 4.290 1.00 0.00 H HETATM 55 H UNL 1 7.406 6.645 3.270 1.00 0.00 H HETATM 56 H UNL 1 6.936 6.155 4.852 1.00 0.00 H HETATM 57 H UNL 1 6.889 0.854 1.756 1.00 0.00 H HETATM 58 H UNL 1 6.145 2.233 1.017 1.00 0.00 H HETATM 59 H UNL 1 5.074 1.624 3.186 1.00 0.00 H HETATM 60 H UNL 1 6.564 1.836 4.030 1.00 0.00 H HETATM 61 H UNL 1 9.788 4.981 3.788 1.00 0.00 H HETATM 62 H UNL 1 10.364 4.100 2.380 1.00 0.00 H HETATM 63 H UNL 1 8.931 2.865 4.764 1.00 0.00 H HETATM 64 H UNL 1 10.591 2.577 4.291 1.00 0.00 H HETATM 65 H UNL 1 8.365 1.110 3.485 1.00 0.00 H HETATM 66 H UNL 1 7.991 1.952 -0.241 1.00 0.00 H HETATM 67 H UNL 1 9.469 2.891 0.095 1.00 0.00 H HETATM 68 H UNL 1 7.897 3.639 -0.100 1.00 0.00 H HETATM 69 H UNL 1 8.873 5.855 1.761 1.00 0.00 H HETATM 70 H UNL 1 11.750 0.627 3.518 1.00 0.00 H HETATM 71 H UNL 1 9.568 -1.020 1.558 1.00 0.00 H HETATM 72 H UNL 1 8.986 0.278 0.506 1.00 0.00 H HETATM 73 H UNL 1 -0.197 0.667 0.441 1.00 0.00 H HETATM 74 H UNL 1 -1.708 1.449 0.673 1.00 0.00 H HETATM 75 H UNL 1 0.043 4.972 2.988 1.00 0.00 H HETATM 76 H UNL 1 -1.593 5.385 2.407 1.00 0.00 H HETATM 77 H UNL 1 -0.515 4.990 0.207 1.00 0.00 H HETATM 78 H UNL 1 1.287 -0.656 2.821 1.00 0.00 H HETATM 79 H UNL 1 -0.132 -1.891 2.075 1.00 0.00 H HETATM 80 H UNL 1 -0.865 -1.241 0.620 1.00 0.00 H HETATM 81 H UNL 1 -1.882 -1.923 1.825 1.00 0.00 H HETATM 82 H UNL 1 5.838 4.271 0.406 1.00 0.00 H CONECT 1 2 6 26 48 CONECT 2 1 3 18 23 CONECT 3 2 4 49 50 CONECT 4 3 5 7 24 CONECT 5 4 6 10 46 CONECT 6 5 1 51 52 CONECT 7 4 8 53 54 CONECT 8 7 9 55 56 CONECT 9 8 10 11 19 CONECT 10 9 5 14 25 CONECT 11 9 12 15 21 CONECT 12 11 13 17 20 CONECT 13 12 14 57 58 CONECT 14 13 10 59 60 CONECT 15 11 16 61 62 CONECT 16 15 17 63 64 CONECT 17 16 12 22 65 CONECT 18 2 37 CONECT 19 9 CONECT 20 12 66 67 68 CONECT 21 11 69 CONECT 22 27 30 17 CONECT 23 2 CONECT 24 4 CONECT 25 10 CONECT 26 1 32 CONECT 27 22 28 70 CONECT 28 27 29 31 CONECT 29 28 30 CONECT 30 29 22 71 72 CONECT 31 28 CONECT 32 26 33 37 42 CONECT 33 32 34 38 41 CONECT 34 33 35 73 74 CONECT 35 34 36 45 44 CONECT 36 35 37 CONECT 37 36 32 18 43 CONECT 38 33 39 CONECT 39 38 40 75 76 CONECT 40 39 41 77 CONECT 41 40 33 CONECT 42 32 78 CONECT 43 37 CONECT 44 35 CONECT 45 35 79 80 81 CONECT 46 5 47 82 CONECT 47 46 CONECT 48 1 CONECT 49 3 CONECT 50 3 CONECT 51 6 CONECT 52 6 CONECT 53 7 CONECT 54 7 CONECT 55 8 CONECT 56 8 CONECT 57 13 CONECT 58 13 CONECT 59 14 CONECT 60 14 CONECT 61 15 CONECT 62 15 CONECT 63 16 CONECT 64 16 CONECT 65 17 CONECT 66 20 CONECT 67 20 CONECT 68 20 CONECT 69 21 CONECT 70 27 CONECT 71 30 CONECT 72 30 CONECT 73 34 CONECT 74 34 CONECT 75 39 CONECT 76 39 CONECT 77 40 CONECT 78 42 CONECT 79 45 CONECT 80 45 CONECT 81 45 CONECT 82 46 MASTER 0 0 0 0 0 0 0 0 82 0 82 0 END M END $$$$