D04ESH AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.220 1.593 0.735 1.00 0.00 C HETATM 2 C UNL 1 0.243 2.220 -0.100 1.00 0.00 C HETATM 3 C UNL 1 -1.132 2.288 0.306 1.00 0.00 C HETATM 4 C UNL 1 -1.542 1.367 1.274 1.00 0.00 C HETATM 5 C UNL 1 -0.612 1.386 2.335 1.00 0.00 C HETATM 6 C UNL 1 0.766 1.402 2.035 1.00 0.00 C HETATM 7 O UNL 1 2.576 1.313 0.433 1.00 0.00 O HETATM 8 CL UNL 1 0.572 2.924 -1.639 1.00 0.00 Cl HETATM 9 O UNL 1 -0.924 1.526 3.692 1.00 0.00 O HETATM 10 C UNL 1 -1.756 -0.000 0.361 1.00 0.00 C HETATM 11 N UNL 1 -2.824 -1.018 0.588 1.00 0.00 N HETATM 12 C UNL 1 -1.717 2.689 4.042 1.00 0.00 C HETATM 13 C UNL 1 -2.513 2.631 5.363 1.00 0.00 C HETATM 14 C UNL 1 -2.090 2.122 6.622 1.00 0.00 C HETATM 15 C UNL 1 -3.006 2.123 7.712 1.00 0.00 C HETATM 16 C UNL 1 -4.274 2.662 7.515 1.00 0.00 C HETATM 17 N UNL 1 -4.673 3.236 6.369 1.00 0.00 N HETATM 18 C UNL 1 -3.782 3.222 5.336 1.00 0.00 C HETATM 19 C UNL 1 -2.986 -1.785 -0.679 1.00 0.00 C HETATM 20 C UNL 1 3.234 0.144 1.232 1.00 0.00 C HETATM 21 C UNL 1 4.634 -0.731 0.462 1.00 0.00 C HETATM 22 C UNL 1 8.326 -2.623 4.460 1.00 0.00 C HETATM 23 C UNL 1 7.403 -2.150 3.460 1.00 0.00 C HETATM 24 C UNL 1 5.765 -2.385 3.384 1.00 0.00 C HETATM 25 C UNL 1 4.297 -2.359 2.548 1.00 0.00 C HETATM 26 C UNL 1 3.983 -1.941 0.843 1.00 0.00 C HETATM 27 C UNL 1 5.523 -2.756 0.405 1.00 0.00 C HETATM 28 C UNL 1 2.999 -2.676 3.685 1.00 0.00 C HETATM 29 C UNL 1 2.720 -2.954 5.186 1.00 0.00 C HETATM 30 C UNL 1 1.310 -3.201 5.766 1.00 0.00 C HETATM 31 C UNL 1 0.266 -3.018 4.903 1.00 0.00 C HETATM 32 C UNL 1 0.625 -2.372 3.724 1.00 0.00 C HETATM 33 C UNL 1 1.796 -2.707 3.028 1.00 0.00 C HETATM 34 C UNL 1 3.694 -2.993 6.347 1.00 0.00 C HETATM 35 O UNL 1 0.965 -3.367 7.127 1.00 0.00 O HETATM 36 C UNL 1 -0.346 -3.951 7.546 1.00 0.00 C HETATM 37 C UNL 1 -1.109 -3.439 8.836 1.00 0.00 C HETATM 38 C UNL 1 -1.717 -2.022 8.977 1.00 0.00 C HETATM 39 N UNL 1 -2.787 -1.515 8.133 1.00 0.00 N HETATM 40 C UNL 1 -4.179 -1.925 8.298 1.00 0.00 C HETATM 41 C UNL 1 -4.867 -1.019 7.277 1.00 0.00 C HETATM 42 C UNL 1 -3.904 -1.065 6.119 1.00 0.00 C HETATM 43 C UNL 1 -2.552 -1.459 6.704 1.00 0.00 C HETATM 44 F UNL 1 -3.849 0.106 5.472 1.00 0.00 F HETATM 45 F UNL 1 -4.317 -2.025 5.255 1.00 0.00 F HETATM 46 C UNL 1 -2.513 -1.982 1.694 1.00 0.00 C HETATM 47 C UNL 1 -2.720 -1.194 3.001 1.00 0.00 C HETATM 48 C UNL 1 -3.446 -3.239 1.802 1.00 0.00 C HETATM 49 O UNL 1 -4.827 -2.940 1.676 1.00 0.00 O HETATM 50 O UNL 1 -3.984 -0.529 2.982 1.00 0.00 O HETATM 51 C UNL 1 -1.087 -2.557 1.655 1.00 0.00 C HETATM 52 O UNL 1 -0.712 -3.292 0.502 1.00 0.00 O HETATM 53 C UNL 1 -2.619 1.659 9.021 1.00 0.00 C HETATM 54 N UNL 1 -2.467 1.171 10.077 1.00 0.00 N HETATM 55 H UNL 1 -1.909 2.725 -0.330 1.00 0.00 H HETATM 56 H UNL 1 1.497 1.421 2.833 1.00 0.00 H HETATM 57 H UNL 1 -0.773 -0.456 0.196 1.00 0.00 H HETATM 58 H UNL 1 -2.032 0.408 -0.625 1.00 0.00 H HETATM 59 H UNL 1 -2.447 2.858 3.244 1.00 0.00 H HETATM 60 H UNL 1 -1.071 3.579 4.088 1.00 0.00 H HETATM 61 H UNL 1 -1.117 1.675 6.742 1.00 0.00 H HETATM 62 H UNL 1 -5.062 2.581 8.271 1.00 0.00 H HETATM 63 H UNL 1 -4.142 3.725 4.445 1.00 0.00 H HETATM 64 H UNL 1 -3.322 -1.135 -1.491 1.00 0.00 H HETATM 65 H UNL 1 -3.747 -2.567 -0.604 1.00 0.00 H HETATM 66 H UNL 1 -2.058 -2.259 -1.017 1.00 0.00 H HETATM 67 H UNL 1 2.411 -0.578 1.004 1.00 0.00 H HETATM 68 H UNL 1 3.279 0.289 2.303 1.00 0.00 H HETATM 69 H UNL 1 8.987 -2.962 5.176 1.00 0.00 H HETATM 70 H UNL 1 7.822 -1.741 2.536 1.00 0.00 H HETATM 71 H UNL 1 5.535 -2.813 4.381 1.00 0.00 H HETATM 72 H UNL 1 5.584 -3.734 0.887 1.00 0.00 H HETATM 73 H UNL 1 6.364 -2.135 0.783 1.00 0.00 H HETATM 74 H UNL 1 5.589 -2.809 -0.679 1.00 0.00 H HETATM 75 H UNL 1 -0.766 -3.001 5.169 1.00 0.00 H HETATM 76 H UNL 1 0.564 -1.277 3.907 1.00 0.00 H HETATM 77 H UNL 1 1.723 -3.563 2.337 1.00 0.00 H HETATM 78 H UNL 1 3.677 -3.985 6.841 1.00 0.00 H HETATM 79 H UNL 1 3.386 -2.267 7.128 1.00 0.00 H HETATM 80 H UNL 1 4.729 -2.759 6.124 1.00 0.00 H HETATM 81 H UNL 1 -0.122 -5.004 7.780 1.00 0.00 H HETATM 82 H UNL 1 -1.081 -4.023 6.746 1.00 0.00 H HETATM 83 H UNL 1 -0.432 -3.560 9.693 1.00 0.00 H HETATM 84 H UNL 1 -1.942 -4.137 9.034 1.00 0.00 H HETATM 85 H UNL 1 -0.891 -1.305 8.933 1.00 0.00 H HETATM 86 H UNL 1 -2.092 -1.934 10.011 1.00 0.00 H HETATM 87 H UNL 1 -4.585 -1.736 9.296 1.00 0.00 H HETATM 88 H UNL 1 -4.336 -2.976 8.030 1.00 0.00 H HETATM 89 H UNL 1 -4.973 -0.000 7.660 1.00 0.00 H HETATM 90 H UNL 1 -5.859 -1.368 6.980 1.00 0.00 H HETATM 91 H UNL 1 -1.748 -0.760 6.461 1.00 0.00 H HETATM 92 H UNL 1 -2.315 -2.448 6.330 1.00 0.00 H HETATM 93 H UNL 1 -1.954 -0.455 3.174 1.00 0.00 H HETATM 94 H UNL 1 -2.657 -1.854 3.864 1.00 0.00 H HETATM 95 H UNL 1 -3.298 -3.732 2.774 1.00 0.00 H HETATM 96 H UNL 1 -3.195 -3.991 1.046 1.00 0.00 H HETATM 97 H UNL 1 -4.908 -1.975 1.819 1.00 0.00 H HETATM 98 H UNL 1 -3.925 0.125 2.261 1.00 0.00 H HETATM 99 H UNL 1 -0.998 -3.257 2.486 1.00 0.00 H HETATM 100 H UNL 1 -0.370 -1.743 1.743 1.00 0.00 H HETATM 101 H UNL 1 -0.940 -4.222 0.661 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 8 CONECT 3 2 4 55 CONECT 4 3 5 10 CONECT 5 4 6 9 CONECT 6 5 1 56 CONECT 7 1 20 CONECT 8 2 CONECT 9 5 12 CONECT 10 4 11 57 58 CONECT 11 10 19 46 CONECT 12 9 13 59 60 CONECT 13 12 14 18 CONECT 14 13 15 61 CONECT 15 14 16 53 CONECT 16 15 17 62 CONECT 17 16 18 CONECT 18 17 13 63 CONECT 19 11 64 65 66 CONECT 20 7 21 67 68 CONECT 21 20 22 26 CONECT 22 21 23 69 CONECT 23 22 24 70 CONECT 24 23 25 71 CONECT 25 24 26 28 CONECT 26 25 21 27 CONECT 27 26 72 73 74 CONECT 28 25 29 33 CONECT 29 28 30 34 CONECT 30 29 31 35 CONECT 31 30 32 75 CONECT 32 31 33 76 CONECT 33 32 28 77 CONECT 34 29 78 79 80 CONECT 35 30 36 CONECT 36 35 37 81 82 CONECT 37 36 38 83 84 CONECT 38 37 39 85 86 CONECT 39 38 40 43 CONECT 40 39 41 87 88 CONECT 41 40 42 89 90 CONECT 42 41 43 44 45 CONECT 43 42 39 91 92 CONECT 44 42 CONECT 45 42 CONECT 46 11 47 48 51 CONECT 47 46 50 93 94 CONECT 48 46 49 95 96 CONECT 49 48 97 CONECT 50 47 98 CONECT 51 46 52 99 100 CONECT 52 51 101 CONECT 53 15 54 CONECT 54 53 CONECT 55 3 CONECT 56 6 CONECT 57 10 CONECT 58 10 CONECT 59 12 CONECT 60 12 CONECT 61 14 CONECT 62 16 CONECT 63 18 CONECT 64 19 CONECT 65 19 CONECT 66 19 CONECT 67 20 CONECT 68 20 CONECT 69 22 CONECT 70 23 CONECT 71 24 CONECT 72 27 CONECT 73 27 CONECT 74 27 CONECT 75 31 CONECT 76 32 CONECT 77 33 CONECT 78 34 CONECT 79 34 CONECT 80 34 CONECT 81 36 CONECT 82 36 CONECT 83 37 CONECT 84 37 CONECT 85 38 CONECT 86 38 CONECT 87 40 CONECT 88 40 CONECT 89 41 CONECT 90 41 CONECT 91 43 CONECT 92 43 CONECT 93 47 CONECT 94 47 CONECT 95 48 CONECT 96 48 CONECT 97 49 CONECT 98 50 CONECT 99 51 CONECT 100 51 CONECT 101 52 MASTER 0 0 0 0 0 0 0 0 101 0 101 0 END M END $$$$