D0KA7I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.658 -0.953 1.455 1.00 0.00 C HETATM 2 C UNL 1 2.122 -2.251 1.222 1.00 0.00 C HETATM 3 C UNL 1 1.198 -2.822 2.142 1.00 0.00 C HETATM 4 C UNL 1 0.734 -1.957 3.125 1.00 0.00 C HETATM 5 C UNL 1 1.874 -1.432 3.722 1.00 0.00 C HETATM 6 C UNL 1 2.649 -0.621 2.823 1.00 0.00 C HETATM 7 O UNL 1 3.399 -0.230 0.509 1.00 0.00 O HETATM 8 CL UNL 1 2.657 -3.269 -0.053 1.00 0.00 Cl HETATM 9 O UNL 1 2.795 -2.505 4.230 1.00 0.00 O HETATM 10 C UNL 1 -0.495 -1.212 2.432 1.00 0.00 C HETATM 11 N UNL 1 -1.303 -0.084 2.922 1.00 0.00 N HETATM 12 C UNL 1 2.683 -3.192 5.518 1.00 0.00 C HETATM 13 C UNL 1 2.153 -4.643 5.638 1.00 0.00 C HETATM 14 C UNL 1 2.891 -5.804 5.943 1.00 0.00 C HETATM 15 C UNL 1 2.291 -7.077 6.182 1.00 0.00 C HETATM 16 C UNL 1 0.915 -7.111 6.107 1.00 0.00 C HETATM 17 N UNL 1 0.153 -6.027 5.833 1.00 0.00 N HETATM 18 C UNL 1 0.782 -4.841 5.620 1.00 0.00 C HETATM 19 C UNL 1 -0.718 1.253 2.938 1.00 0.00 C HETATM 20 C UNL 1 -1.618 2.318 3.595 1.00 0.00 C HETATM 21 C UNL 1 -3.074 2.363 3.155 1.00 0.00 C HETATM 22 C UNL 1 -3.540 1.161 2.367 1.00 0.00 C HETATM 23 C UNL 1 -2.775 -0.147 2.623 1.00 0.00 C HETATM 24 C UNL 1 -3.275 -1.086 1.499 1.00 0.00 C HETATM 25 O UNL 1 -4.302 -1.747 1.604 1.00 0.00 O HETATM 26 O UNL 1 -2.597 -1.049 0.330 1.00 0.00 O HETATM 27 C UNL 1 3.012 1.190 0.282 1.00 0.00 C HETATM 28 C UNL 1 3.912 2.145 -0.578 1.00 0.00 C HETATM 29 C UNL 1 4.854 3.093 -0.130 1.00 0.00 C HETATM 30 C UNL 1 5.610 3.883 -1.079 1.00 0.00 C HETATM 31 C UNL 1 5.234 3.945 -2.429 1.00 0.00 C HETATM 32 C UNL 1 4.039 3.330 -2.710 1.00 0.00 C HETATM 33 C UNL 1 3.984 2.057 -1.979 1.00 0.00 C HETATM 34 C UNL 1 5.225 1.039 -2.229 1.00 0.00 C HETATM 35 C UNL 1 2.799 4.327 -2.730 1.00 0.00 C HETATM 36 C UNL 1 2.680 5.761 -3.029 1.00 0.00 C HETATM 37 C UNL 1 1.500 6.521 -2.584 1.00 0.00 C HETATM 38 C UNL 1 0.563 5.861 -1.812 1.00 0.00 C HETATM 39 C UNL 1 0.951 4.645 -1.282 1.00 0.00 C HETATM 40 C UNL 1 1.652 3.810 -2.139 1.00 0.00 C HETATM 41 C UNL 1 3.666 6.531 -3.879 1.00 0.00 C HETATM 42 O UNL 1 1.411 7.900 -2.747 1.00 0.00 O HETATM 43 C UNL 1 0.137 8.600 -2.612 1.00 0.00 C HETATM 44 C UNL 1 -0.351 9.132 -1.225 1.00 0.00 C HETATM 45 C UNL 1 0.540 9.938 -0.252 1.00 0.00 C HETATM 46 N UNL 1 1.021 11.298 -0.517 1.00 0.00 N HETATM 47 C UNL 1 0.080 12.413 -0.357 1.00 0.00 C HETATM 48 C UNL 1 0.738 13.807 -0.520 1.00 0.00 C HETATM 49 C UNL 1 1.751 13.865 -1.663 1.00 0.00 C HETATM 50 C UNL 1 2.686 12.664 -1.605 1.00 0.00 C HETATM 51 C UNL 1 1.854 11.396 -1.703 1.00 0.00 C HETATM 52 O UNL 1 2.499 15.079 -1.611 1.00 0.00 O HETATM 53 C UNL 1 2.992 -8.263 6.554 1.00 0.00 C HETATM 54 N UNL 1 3.499 -9.302 6.801 1.00 0.00 N HETATM 55 H UNL 1 0.708 -3.781 1.999 1.00 0.00 H HETATM 56 H UNL 1 3.518 -0.074 3.186 1.00 0.00 H HETATM 57 H UNL 1 -1.193 -2.054 2.348 1.00 0.00 H HETATM 58 H UNL 1 -0.189 -0.951 1.409 1.00 0.00 H HETATM 59 H UNL 1 2.171 -2.546 6.255 1.00 0.00 H HETATM 60 H UNL 1 3.717 -3.251 5.873 1.00 0.00 H HETATM 61 H UNL 1 3.982 -5.701 6.015 1.00 0.00 H HETATM 62 H UNL 1 0.359 -8.040 6.267 1.00 0.00 H HETATM 63 H UNL 1 0.094 -4.000 5.480 1.00 0.00 H HETATM 64 H UNL 1 -0.417 1.604 1.941 1.00 0.00 H HETATM 65 H UNL 1 0.194 1.219 3.545 1.00 0.00 H HETATM 66 H UNL 1 -1.183 3.315 3.436 1.00 0.00 H HETATM 67 H UNL 1 -1.605 2.164 4.681 1.00 0.00 H HETATM 68 H UNL 1 -3.709 2.478 4.043 1.00 0.00 H HETATM 69 H UNL 1 -3.265 3.265 2.557 1.00 0.00 H HETATM 70 H UNL 1 -3.544 1.418 1.298 1.00 0.00 H HETATM 71 H UNL 1 -4.600 0.989 2.612 1.00 0.00 H HETATM 72 H UNL 1 -3.175 -0.589 3.542 1.00 0.00 H HETATM 73 H UNL 1 -1.868 -0.405 0.315 1.00 0.00 H HETATM 74 H UNL 1 2.826 1.679 1.245 1.00 0.00 H HETATM 75 H UNL 1 2.044 1.167 -0.244 1.00 0.00 H HETATM 76 H UNL 1 5.091 3.207 0.921 1.00 0.00 H HETATM 77 H UNL 1 6.476 4.462 -0.769 1.00 0.00 H HETATM 78 H UNL 1 5.760 4.541 -3.166 1.00 0.00 H HETATM 79 H UNL 1 6.099 1.542 -2.667 1.00 0.00 H HETATM 80 H UNL 1 4.943 0.177 -2.828 1.00 0.00 H HETATM 81 H UNL 1 5.598 0.653 -1.261 1.00 0.00 H HETATM 82 H UNL 1 -0.303 6.346 -1.391 1.00 0.00 H HETATM 83 H UNL 1 1.573 4.863 -0.376 1.00 0.00 H HETATM 84 H UNL 1 1.040 3.215 -2.830 1.00 0.00 H HETATM 85 H UNL 1 3.927 7.483 -3.403 1.00 0.00 H HETATM 86 H UNL 1 3.220 6.753 -4.858 1.00 0.00 H HETATM 87 H UNL 1 4.595 5.999 -4.074 1.00 0.00 H HETATM 88 H UNL 1 -0.668 7.987 -3.044 1.00 0.00 H HETATM 89 H UNL 1 0.195 9.469 -3.279 1.00 0.00 H HETATM 90 H UNL 1 -0.676 8.260 -0.644 1.00 0.00 H HETATM 91 H UNL 1 -1.275 9.705 -1.389 1.00 0.00 H HETATM 92 H UNL 1 1.414 9.318 -0.021 1.00 0.00 H HETATM 93 H UNL 1 -0.010 9.988 0.701 1.00 0.00 H HETATM 94 H UNL 1 -0.352 12.392 0.653 1.00 0.00 H HETATM 95 H UNL 1 -0.754 12.328 -1.063 1.00 0.00 H HETATM 96 H UNL 1 1.230 14.108 0.415 1.00 0.00 H HETATM 97 H UNL 1 -0.035 14.569 -0.692 1.00 0.00 H HETATM 98 H UNL 1 1.218 13.868 -2.621 1.00 0.00 H HETATM 99 H UNL 1 3.266 12.681 -0.672 1.00 0.00 H HETATM 100 H UNL 1 3.420 12.710 -2.416 1.00 0.00 H HETATM 101 H UNL 1 2.531 10.539 -1.767 1.00 0.00 H HETATM 102 H UNL 1 1.237 11.413 -2.609 1.00 0.00 H HETATM 103 H UNL 1 3.115 15.025 -0.861 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 27 CONECT 8 2 CONECT 9 5 12 CONECT 10 4 11 57 58 CONECT 11 10 19 23 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 20 64 65 CONECT 20 19 21 66 67 CONECT 21 20 22 68 69 CONECT 22 21 23 70 71 CONECT 23 22 11 24 72 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 73 CONECT 27 7 28 74 75 CONECT 28 27 29 33 CONECT 29 28 30 76 CONECT 30 29 31 77 CONECT 31 30 32 78 CONECT 32 31 33 35 CONECT 33 32 28 34 CONECT 34 33 79 80 81 CONECT 35 32 36 40 CONECT 36 35 37 41 CONECT 37 36 38 42 CONECT 38 37 39 82 CONECT 39 38 40 83 CONECT 40 39 35 84 CONECT 41 36 85 86 87 CONECT 42 37 43 CONECT 43 42 44 88 89 CONECT 44 43 45 90 91 CONECT 45 44 46 92 93 CONECT 46 45 47 51 CONECT 47 46 48 94 95 CONECT 48 47 49 96 97 CONECT 49 48 50 52 98 CONECT 50 49 51 99 100 CONECT 51 50 46 101 102 CONECT 52 49 103 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 20 CONECT 67 20 CONECT 68 21 CONECT 69 21 CONECT 70 22 CONECT 71 22 CONECT 72 23 CONECT 73 26 CONECT 74 27 CONECT 75 27 CONECT 76 29 CONECT 77 30 CONECT 78 31 CONECT 79 34 CONECT 80 34 CONECT 81 34 CONECT 82 38 CONECT 83 39 CONECT 84 40 CONECT 85 41 CONECT 86 41 CONECT 87 41 CONECT 88 43 CONECT 89 43 CONECT 90 44 CONECT 91 44 CONECT 92 45 CONECT 93 45 CONECT 94 47 CONECT 95 47 CONECT 96 48 CONECT 97 48 CONECT 98 49 CONECT 99 50 CONECT 100 50 CONECT 101 51 CONECT 102 51 CONECT 103 52 MASTER 0 0 0 0 0 0 0 0 103 0 103 0 END M END $$$$