D0R8CR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.573 -0.295 -1.156 1.00 0.00 C HETATM 2 C UNL 1 3.467 -0.303 -2.295 1.00 0.00 C HETATM 3 N UNL 1 2.861 -0.334 -3.578 1.00 0.00 N HETATM 4 C UNL 1 1.615 0.533 -3.649 1.00 0.00 C HETATM 5 C UNL 1 1.030 0.984 -2.332 1.00 0.00 C HETATM 6 N UNL 1 1.187 0.005 -1.374 1.00 0.00 N HETATM 7 C UNL 1 3.094 -0.342 0.130 1.00 0.00 C HETATM 8 C UNL 1 4.483 -0.307 0.290 1.00 0.00 C HETATM 9 C UNL 1 5.342 -0.291 -0.830 1.00 0.00 C HETATM 10 N UNL 1 4.828 -0.313 -2.107 1.00 0.00 N HETATM 11 N UNL 1 6.752 -0.472 -0.590 1.00 0.00 N HETATM 12 C UNL 1 7.867 0.431 -0.566 1.00 0.00 C HETATM 13 C UNL 1 8.806 0.477 -1.634 1.00 0.00 C HETATM 14 C UNL 1 10.029 1.208 -1.523 1.00 0.00 C HETATM 15 C UNL 1 10.395 1.747 -0.307 1.00 0.00 C HETATM 16 C UNL 1 9.594 1.468 0.805 1.00 0.00 C HETATM 17 C UNL 1 8.287 0.971 0.660 1.00 0.00 C HETATM 18 C UNL 1 3.459 -0.581 -4.921 1.00 0.00 C HETATM 19 C UNL 1 4.657 -1.492 -5.188 1.00 0.00 C HETATM 20 C UNL 1 5.036 -1.311 -6.693 1.00 0.00 C HETATM 21 O UNL 1 3.950 -1.496 -7.615 1.00 0.00 O HETATM 22 C UNL 1 2.784 -0.755 -7.285 1.00 0.00 C HETATM 23 C UNL 1 2.370 -1.148 -5.886 1.00 0.00 C HETATM 24 C UNL 1 0.124 -0.087 -0.407 1.00 0.00 C HETATM 25 O UNL 1 0.346 1.991 -2.172 1.00 0.00 O HETATM 26 C UNL 1 1.707 1.719 -4.613 1.00 0.00 C HETATM 27 S UNL 1 11.408 1.053 -2.650 1.00 0.00 S HETATM 28 O UNL 1 11.112 -0.029 -3.569 1.00 0.00 O HETATM 29 N UNL 1 11.482 2.526 -3.537 1.00 0.00 N HETATM 30 O UNL 1 12.629 0.947 -1.841 1.00 0.00 O HETATM 31 C UNL 1 10.593 2.519 -4.741 1.00 0.00 C HETATM 32 C UNL 1 10.652 3.840 -5.538 1.00 0.00 C HETATM 33 N UNL 1 12.015 4.302 -5.900 1.00 0.00 N HETATM 34 C UNL 1 12.843 4.336 -4.675 1.00 0.00 C HETATM 35 C UNL 1 12.880 2.945 -3.973 1.00 0.00 C HETATM 36 C UNL 1 11.918 5.627 -6.591 1.00 0.00 C HETATM 37 C UNL 1 13.162 6.376 -7.134 1.00 0.00 C HETATM 38 F UNL 1 14.329 5.751 -6.879 1.00 0.00 F HETATM 39 F UNL 1 13.075 6.544 -8.476 1.00 0.00 F HETATM 40 F UNL 1 13.238 7.615 -6.588 1.00 0.00 F HETATM 41 H UNL 1 0.808 -0.126 -3.994 1.00 0.00 H HETATM 42 H UNL 1 2.452 -0.312 1.011 1.00 0.00 H HETATM 43 H UNL 1 4.878 -0.289 1.305 1.00 0.00 H HETATM 44 H UNL 1 6.868 -1.149 0.165 1.00 0.00 H HETATM 45 H UNL 1 8.642 -0.175 -2.490 1.00 0.00 H HETATM 46 H UNL 1 11.362 2.226 -0.155 1.00 0.00 H HETATM 47 H UNL 1 10.072 1.454 1.791 1.00 0.00 H HETATM 48 H UNL 1 7.676 0.889 1.553 1.00 0.00 H HETATM 49 H UNL 1 3.787 0.406 -5.264 1.00 0.00 H HETATM 50 H UNL 1 4.401 -2.546 -5.016 1.00 0.00 H HETATM 51 H UNL 1 5.527 -1.255 -4.571 1.00 0.00 H HETATM 52 H UNL 1 5.805 -2.033 -6.986 1.00 0.00 H HETATM 53 H UNL 1 5.448 -0.309 -6.865 1.00 0.00 H HETATM 54 H UNL 1 1.989 -0.991 -8.000 1.00 0.00 H HETATM 55 H UNL 1 2.973 0.324 -7.363 1.00 0.00 H HETATM 56 H UNL 1 2.322 -2.244 -5.803 1.00 0.00 H HETATM 57 H UNL 1 1.352 -0.807 -5.716 1.00 0.00 H HETATM 58 H UNL 1 -0.819 0.111 -0.942 1.00 0.00 H HETATM 59 H UNL 1 0.227 0.675 0.365 1.00 0.00 H HETATM 60 H UNL 1 0.047 -1.098 -0.005 1.00 0.00 H HETATM 61 H UNL 1 2.706 2.161 -4.639 1.00 0.00 H HETATM 62 H UNL 1 1.001 2.518 -4.370 1.00 0.00 H HETATM 63 H UNL 1 1.447 1.405 -5.629 1.00 0.00 H HETATM 64 H UNL 1 9.563 2.350 -4.413 1.00 0.00 H HETATM 65 H UNL 1 10.896 1.702 -5.408 1.00 0.00 H HETATM 66 H UNL 1 10.139 4.617 -4.957 1.00 0.00 H HETATM 67 H UNL 1 10.082 3.687 -6.463 1.00 0.00 H HETATM 68 H UNL 1 12.457 5.090 -3.975 1.00 0.00 H HETATM 69 H UNL 1 13.872 4.620 -4.922 1.00 0.00 H HETATM 70 H UNL 1 13.543 3.023 -3.107 1.00 0.00 H HETATM 71 H UNL 1 13.293 2.202 -4.666 1.00 0.00 H HETATM 72 H UNL 1 11.375 6.328 -5.943 1.00 0.00 H HETATM 73 H UNL 1 11.270 5.471 -7.464 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 10 CONECT 3 2 4 18 CONECT 4 3 5 26 41 CONECT 5 4 6 25 CONECT 6 5 1 24 CONECT 7 1 8 42 CONECT 8 7 9 43 CONECT 9 8 10 11 CONECT 10 9 2 CONECT 11 9 12 44 CONECT 12 11 13 17 CONECT 13 12 14 45 CONECT 14 13 15 27 CONECT 15 14 16 46 CONECT 16 15 17 47 CONECT 17 16 12 48 CONECT 18 3 19 23 49 CONECT 19 18 20 50 51 CONECT 20 19 21 52 53 CONECT 21 20 22 CONECT 22 21 23 54 55 CONECT 23 22 18 56 57 CONECT 24 6 58 59 60 CONECT 25 5 CONECT 26 4 61 62 63 CONECT 27 14 28 29 30 CONECT 28 27 CONECT 29 27 31 35 CONECT 30 27 CONECT 31 29 32 64 65 CONECT 32 31 33 66 67 CONECT 33 32 34 36 CONECT 34 33 35 68 69 CONECT 35 34 29 70 71 CONECT 36 33 37 72 73 CONECT 37 36 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 CONECT 41 4 CONECT 42 7 CONECT 43 8 CONECT 44 11 CONECT 45 13 CONECT 46 15 CONECT 47 16 CONECT 48 17 CONECT 49 18 CONECT 50 19 CONECT 51 19 CONECT 52 20 CONECT 53 20 CONECT 54 22 CONECT 55 22 CONECT 56 23 CONECT 57 23 CONECT 58 24 CONECT 59 24 CONECT 60 24 CONECT 61 26 CONECT 62 26 CONECT 63 26 CONECT 64 31 CONECT 65 31 CONECT 66 32 CONECT 67 32 CONECT 68 34 CONECT 69 34 CONECT 70 35 CONECT 71 35 CONECT 72 36 CONECT 73 36 MASTER 0 0 0 0 0 0 0 0 73 0 73 0 END M END $$$$