D0C1UA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.562 3.878 1.272 1.00 0.00 C HETATM 2 C UNL 1 4.247 4.036 -0.109 1.00 0.00 C HETATM 3 C UNL 1 5.074 4.181 -1.732 1.00 0.00 C HETATM 4 C UNL 1 2.237 4.762 2.149 1.00 0.00 C HETATM 5 C UNL 1 3.851 2.231 2.211 1.00 0.00 C HETATM 6 C UNL 1 3.849 1.355 1.053 1.00 0.00 C HETATM 7 C UNL 1 5.078 1.740 0.575 1.00 0.00 C HETATM 8 N UNL 1 5.034 2.862 -0.215 1.00 0.00 N HETATM 9 C UNL 1 6.417 2.115 1.469 1.00 0.00 C HETATM 10 C UNL 1 2.135 1.523 0.819 1.00 0.00 C HETATM 11 O UNL 1 1.430 2.086 1.683 1.00 0.00 O HETATM 12 O UNL 1 1.479 0.949 -0.216 1.00 0.00 O HETATM 13 C UNL 1 -0.004 0.907 -0.073 1.00 0.00 C HETATM 14 O UNL 1 1.086 5.696 1.807 1.00 0.00 O HETATM 15 C UNL 1 4.768 1.866 3.603 1.00 0.00 C HETATM 16 C UNL 1 5.212 0.583 4.358 1.00 0.00 C HETATM 17 C UNL 1 4.864 0.457 5.780 1.00 0.00 C HETATM 18 C UNL 1 4.295 1.589 6.301 1.00 0.00 C HETATM 19 C UNL 1 4.771 2.701 5.688 1.00 0.00 C HETATM 20 C UNL 1 4.201 2.752 4.474 1.00 0.00 C HETATM 21 O UNL 1 2.420 4.661 3.410 1.00 0.00 O HETATM 22 C UNL 1 -0.451 6.387 2.500 1.00 0.00 C HETATM 23 C UNL 1 -0.825 8.011 3.208 1.00 0.00 C HETATM 24 C UNL 1 -2.586 8.644 3.612 1.00 0.00 C HETATM 25 N UNL 1 -4.051 7.753 4.061 1.00 0.00 N HETATM 26 C UNL 1 -3.135 6.362 3.532 1.00 0.00 C HETATM 27 C UNL 1 -1.321 5.806 3.697 1.00 0.00 C HETATM 28 C UNL 1 -5.908 8.463 4.089 1.00 0.00 C HETATM 29 C UNL 1 -8.005 8.458 4.227 1.00 0.00 C HETATM 30 N UNL 1 -9.835 9.006 4.846 1.00 0.00 N HETATM 31 C UNL 1 -11.306 10.131 4.658 1.00 0.00 C HETATM 32 C UNL 1 -12.876 10.710 5.543 1.00 0.00 C HETATM 33 C UNL 1 -12.972 12.058 6.289 1.00 0.00 C HETATM 34 N UNL 1 -12.422 12.890 5.519 1.00 0.00 N HETATM 35 C UNL 1 -11.291 12.389 5.040 1.00 0.00 C HETATM 36 C UNL 1 -10.836 11.264 4.167 1.00 0.00 C HETATM 37 C UNL 1 -14.544 11.204 5.419 1.00 0.00 C HETATM 38 C UNL 1 -15.539 12.431 6.006 1.00 0.00 C HETATM 39 C UNL 1 -15.005 13.567 6.529 1.00 0.00 C HETATM 40 C UNL 1 -13.833 13.075 7.022 1.00 0.00 C HETATM 41 C UNL 1 -10.449 12.297 6.355 1.00 0.00 C HETATM 42 C UNL 1 -9.264 12.717 5.581 1.00 0.00 C HETATM 43 C UNL 1 -8.740 11.358 5.167 1.00 0.00 C HETATM 44 C UNL 1 -9.384 11.215 3.770 1.00 0.00 C HETATM 45 N UNL 1 5.090 -0.547 6.883 1.00 0.00 N1+ HETATM 46 O UNL 1 5.844 -1.508 6.713 1.00 0.00 O HETATM 47 O UNL 1 4.506 -0.318 7.968 1.00 0.00 O1- HETATM 48 H UNL 1 4.452 4.333 -2.610 1.00 0.00 H HETATM 49 H UNL 1 5.559 3.191 -2.144 1.00 0.00 H HETATM 50 H UNL 1 5.982 4.826 -1.781 1.00 0.00 H HETATM 51 H UNL 1 3.015 1.766 2.695 1.00 0.00 H HETATM 52 H UNL 1 6.016 3.111 -0.397 1.00 0.00 H HETATM 53 H UNL 1 6.165 2.902 2.204 1.00 0.00 H HETATM 54 H UNL 1 7.205 2.692 0.948 1.00 0.00 H HETATM 55 H UNL 1 6.889 1.261 1.941 1.00 0.00 H HETATM 56 H UNL 1 -0.388 0.682 0.943 1.00 0.00 H HETATM 57 H UNL 1 -0.327 0.078 -0.702 1.00 0.00 H HETATM 58 H UNL 1 -0.520 1.813 -0.437 1.00 0.00 H HETATM 59 H UNL 1 6.126 0.024 4.077 1.00 0.00 H HETATM 60 H UNL 1 3.227 1.463 6.511 1.00 0.00 H HETATM 61 H UNL 1 5.882 2.760 5.621 1.00 0.00 H HETATM 62 H UNL 1 3.098 2.676 4.406 1.00 0.00 H HETATM 63 H UNL 1 -1.025 6.271 1.576 1.00 0.00 H HETATM 64 H UNL 1 -0.188 8.792 2.769 1.00 0.00 H HETATM 65 H UNL 1 -0.382 7.990 4.232 1.00 0.00 H HETATM 66 H UNL 1 -2.821 9.224 2.719 1.00 0.00 H HETATM 67 H UNL 1 -2.404 9.299 4.479 1.00 0.00 H HETATM 68 H UNL 1 -3.096 6.568 2.451 1.00 0.00 H HETATM 69 H UNL 1 -3.700 5.452 3.689 1.00 0.00 H HETATM 70 H UNL 1 -1.225 4.827 4.193 1.00 0.00 H HETATM 71 H UNL 1 -0.684 6.240 4.494 1.00 0.00 H HETATM 72 H UNL 1 -5.815 8.839 3.063 1.00 0.00 H HETATM 73 H UNL 1 -5.664 9.288 4.775 1.00 0.00 H HETATM 74 H UNL 1 -8.000 7.650 4.956 1.00 0.00 H HETATM 75 H UNL 1 -8.263 8.019 3.258 1.00 0.00 H HETATM 76 H UNL 1 -10.372 8.273 4.336 1.00 0.00 H HETATM 77 H UNL 1 -14.575 11.654 4.359 1.00 0.00 H HETATM 78 H UNL 1 -16.572 12.296 6.383 1.00 0.00 H HETATM 79 H UNL 1 -15.533 14.448 6.945 1.00 0.00 H HETATM 80 H UNL 1 -13.858 13.124 8.121 1.00 0.00 H HETATM 81 H UNL 1 -10.628 11.256 6.741 1.00 0.00 H HETATM 82 H UNL 1 -10.725 12.899 7.225 1.00 0.00 H HETATM 83 H UNL 1 -8.652 13.453 6.049 1.00 0.00 H HETATM 84 H UNL 1 -9.545 13.301 4.662 1.00 0.00 H HETATM 85 H UNL 1 -9.121 10.601 5.881 1.00 0.00 H HETATM 86 H UNL 1 -7.687 11.271 5.339 1.00 0.00 H HETATM 87 H UNL 1 -9.025 12.040 3.169 1.00 0.00 H HETATM 88 H UNL 1 -9.254 10.346 3.107 1.00 0.00 H CONECT 1 2 4 5 CONECT 2 1 3 8 CONECT 3 2 48 49 50 CONECT 4 1 14 21 CONECT 5 1 6 15 51 CONECT 6 5 7 10 CONECT 7 6 8 9 CONECT 8 7 2 52 CONECT 9 7 53 54 55 CONECT 10 6 11 12 CONECT 11 10 CONECT 12 10 13 CONECT 13 12 56 57 58 CONECT 14 4 22 CONECT 15 5 16 20 CONECT 16 15 17 59 CONECT 17 45 16 18 CONECT 18 17 19 60 CONECT 19 18 20 61 CONECT 20 19 15 62 CONECT 21 4 CONECT 22 14 23 27 63 CONECT 23 22 24 64 65 CONECT 24 23 25 66 67 CONECT 25 24 26 28 CONECT 26 25 27 68 69 CONECT 27 26 22 70 71 CONECT 28 25 29 72 73 CONECT 29 28 30 74 75 CONECT 30 29 31 76 CONECT 31 30 32 36 CONECT 32 31 33 37 CONECT 33 32 34 40 CONECT 34 33 35 CONECT 35 34 36 41 CONECT 36 35 31 44 CONECT 37 32 38 77 CONECT 38 37 39 78 CONECT 39 38 40 79 CONECT 40 39 33 80 CONECT 41 35 42 81 82 CONECT 42 41 43 83 84 CONECT 43 42 44 85 86 CONECT 44 43 36 87 88 CONECT 45 46 47 17 CONECT 46 45 CONECT 47 45 CONECT 48 3 CONECT 49 3 CONECT 50 3 CONECT 51 5 CONECT 52 8 CONECT 53 9 CONECT 54 9 CONECT 55 9 CONECT 56 13 CONECT 57 13 CONECT 58 13 CONECT 59 16 CONECT 60 18 CONECT 61 19 CONECT 62 20 CONECT 63 22 CONECT 64 23 CONECT 65 23 CONECT 66 24 CONECT 67 24 CONECT 68 26 CONECT 69 26 CONECT 70 27 CONECT 71 27 CONECT 72 28 CONECT 73 28 CONECT 74 29 CONECT 75 29 CONECT 76 30 CONECT 77 37 CONECT 78 38 CONECT 79 39 CONECT 80 40 CONECT 81 41 CONECT 82 41 CONECT 83 42 CONECT 84 42 CONECT 85 43 CONECT 86 43 CONECT 87 44 CONECT 88 44 MASTER 0 0 0 0 0 0 0 0 88 0 88 0 END M END $$$$