D00JUI AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.673 0.528 -0.856 1.00 0.00 C HETATM 2 N UNL 1 2.679 1.143 -0.062 1.00 0.00 N HETATM 3 C UNL 1 3.345 2.295 -0.499 1.00 0.00 C HETATM 4 C UNL 1 2.894 2.873 -1.629 1.00 0.00 C HETATM 5 C UNL 1 1.541 2.572 -2.084 1.00 0.00 C HETATM 6 C UNL 1 0.801 1.517 -1.624 1.00 0.00 C HETATM 7 N UNL 1 2.283 -0.661 -1.156 1.00 0.00 N HETATM 8 C UNL 1 3.352 -0.766 -0.239 1.00 0.00 C HETATM 9 N UNL 1 3.258 0.187 0.694 1.00 0.00 N HETATM 10 N UNL 1 4.518 -1.540 -0.230 1.00 0.00 N HETATM 11 C UNL 1 5.280 -2.453 -1.027 1.00 0.00 C HETATM 12 C UNL 1 4.846 -3.096 -2.190 1.00 0.00 C HETATM 13 C UNL 1 5.672 -4.051 -2.901 1.00 0.00 C HETATM 14 C UNL 1 6.959 -4.449 -2.486 1.00 0.00 C HETATM 15 C UNL 1 7.437 -3.698 -1.391 1.00 0.00 C HETATM 16 C UNL 1 6.634 -2.737 -0.683 1.00 0.00 C HETATM 17 C UNL 1 7.928 -5.522 -3.144 1.00 0.00 C HETATM 18 O UNL 1 9.135 -5.326 -2.957 1.00 0.00 O HETATM 19 N UNL 1 7.526 -6.701 -3.877 1.00 0.00 N HETATM 20 C UNL 1 6.147 -7.136 -3.948 1.00 0.00 C HETATM 21 C UNL 1 8.576 -7.765 -4.324 1.00 0.00 C HETATM 22 C UNL 1 8.202 -8.619 -5.588 1.00 0.00 C HETATM 23 C UNL 1 9.125 -9.841 -5.882 1.00 0.00 C HETATM 24 N UNL 1 9.446 -10.649 -4.698 1.00 0.00 N HETATM 25 C UNL 1 9.956 -9.794 -3.621 1.00 0.00 C HETATM 26 C UNL 1 8.883 -8.775 -3.200 1.00 0.00 C HETATM 27 C UNL 1 10.400 -11.725 -5.016 1.00 0.00 C HETATM 28 C UNL 1 -0.761 1.715 -1.726 1.00 0.00 C HETATM 29 C UNL 1 -1.386 2.649 -2.502 1.00 0.00 C HETATM 30 C UNL 1 -2.867 3.026 -2.596 1.00 0.00 C HETATM 31 N UNL 1 -3.771 2.105 -1.940 1.00 0.00 N HETATM 32 C UNL 1 -3.215 1.316 -0.827 1.00 0.00 C HETATM 33 C UNL 1 -1.690 0.944 -0.816 1.00 0.00 C HETATM 34 C UNL 1 -5.174 2.106 -2.053 1.00 0.00 C HETATM 35 N UNL 1 -5.843 2.965 -2.895 1.00 0.00 N HETATM 36 O UNL 1 -5.850 1.303 -1.398 1.00 0.00 O HETATM 37 C UNL 1 -7.318 2.997 -3.117 1.00 0.00 C HETATM 38 C UNL 1 -7.130 4.433 -3.497 1.00 0.00 C HETATM 39 C UNL 1 -5.639 4.291 -3.477 1.00 0.00 C HETATM 40 C UNL 1 -7.845 5.011 -4.686 1.00 0.00 C HETATM 41 O UNL 1 -8.768 5.709 -3.792 1.00 0.00 O HETATM 42 C UNL 1 -7.851 5.467 -2.676 1.00 0.00 C HETATM 43 H UNL 1 4.279 2.509 -0.035 1.00 0.00 H HETATM 44 H UNL 1 3.494 3.608 -2.163 1.00 0.00 H HETATM 45 H UNL 1 1.130 3.383 -2.665 1.00 0.00 H HETATM 46 H UNL 1 5.049 -1.311 0.607 1.00 0.00 H HETATM 47 H UNL 1 3.852 -2.861 -2.555 1.00 0.00 H HETATM 48 H UNL 1 5.244 -4.446 -3.814 1.00 0.00 H HETATM 49 H UNL 1 8.472 -3.835 -1.061 1.00 0.00 H HETATM 50 H UNL 1 7.109 -2.203 0.145 1.00 0.00 H HETATM 51 H UNL 1 5.445 -6.415 -3.557 1.00 0.00 H HETATM 52 H UNL 1 6.036 -8.049 -3.360 1.00 0.00 H HETATM 53 H UNL 1 5.893 -7.330 -4.993 1.00 0.00 H HETATM 54 H UNL 1 9.501 -7.218 -4.551 1.00 0.00 H HETATM 55 H UNL 1 8.192 -7.978 -6.478 1.00 0.00 H HETATM 56 H UNL 1 7.189 -9.023 -5.481 1.00 0.00 H HETATM 57 H UNL 1 10.042 -9.503 -6.379 1.00 0.00 H HETATM 58 H UNL 1 8.605 -10.492 -6.602 1.00 0.00 H HETATM 59 H UNL 1 10.878 -9.285 -3.931 1.00 0.00 H HETATM 60 H UNL 1 10.202 -10.415 -2.751 1.00 0.00 H HETATM 61 H UNL 1 9.208 -8.255 -2.295 1.00 0.00 H HETATM 62 H UNL 1 7.968 -9.325 -2.939 1.00 0.00 H HETATM 63 H UNL 1 9.947 -12.466 -5.686 1.00 0.00 H HETATM 64 H UNL 1 10.693 -12.277 -4.113 1.00 0.00 H HETATM 65 H UNL 1 11.318 -11.355 -5.488 1.00 0.00 H HETATM 66 H UNL 1 -0.808 3.287 -3.163 1.00 0.00 H HETATM 67 H UNL 1 -3.154 3.092 -3.651 1.00 0.00 H HETATM 68 H UNL 1 -3.016 4.018 -2.151 1.00 0.00 H HETATM 69 H UNL 1 -3.782 0.378 -0.757 1.00 0.00 H HETATM 70 H UNL 1 -3.458 1.876 0.086 1.00 0.00 H HETATM 71 H UNL 1 -1.351 1.058 0.221 1.00 0.00 H HETATM 72 H UNL 1 -1.604 -0.120 -1.061 1.00 0.00 H HETATM 73 H UNL 1 -7.921 2.811 -2.222 1.00 0.00 H HETATM 74 H UNL 1 -7.633 2.325 -3.922 1.00 0.00 H HETATM 75 H UNL 1 -5.118 5.000 -2.835 1.00 0.00 H HETATM 76 H UNL 1 -5.177 4.235 -4.466 1.00 0.00 H HETATM 77 H UNL 1 -8.375 4.331 -5.358 1.00 0.00 H HETATM 78 H UNL 1 -7.287 5.747 -5.275 1.00 0.00 H HETATM 79 H UNL 1 -8.394 5.126 -1.790 1.00 0.00 H HETATM 80 H UNL 1 -7.299 6.382 -2.444 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 9 CONECT 3 2 4 43 CONECT 4 3 5 44 CONECT 5 4 6 45 CONECT 6 5 1 28 CONECT 7 1 8 CONECT 8 7 9 10 CONECT 9 8 2 CONECT 10 8 11 46 CONECT 11 10 12 16 CONECT 12 11 13 47 CONECT 13 12 14 48 CONECT 14 13 15 17 CONECT 15 14 16 49 CONECT 16 15 11 50 CONECT 17 14 18 19 CONECT 18 17 CONECT 19 17 20 21 CONECT 20 19 51 52 53 CONECT 21 19 22 26 54 CONECT 22 21 23 55 56 CONECT 23 22 24 57 58 CONECT 24 23 25 27 CONECT 25 24 26 59 60 CONECT 26 25 21 61 62 CONECT 27 24 63 64 65 CONECT 28 6 29 33 CONECT 29 28 30 66 CONECT 30 29 31 67 68 CONECT 31 30 32 34 CONECT 32 31 33 69 70 CONECT 33 32 28 71 72 CONECT 34 31 35 36 CONECT 35 34 37 39 CONECT 36 34 CONECT 37 35 38 73 74 CONECT 38 37 39 40 42 CONECT 39 38 35 75 76 CONECT 40 38 41 77 78 CONECT 41 40 42 CONECT 42 41 38 79 80 CONECT 43 3 CONECT 44 4 CONECT 45 5 CONECT 46 10 CONECT 47 12 CONECT 48 13 CONECT 49 15 CONECT 50 16 CONECT 51 20 CONECT 52 20 CONECT 53 20 CONECT 54 21 CONECT 55 22 CONECT 56 22 CONECT 57 23 CONECT 58 23 CONECT 59 25 CONECT 60 25 CONECT 61 26 CONECT 62 26 CONECT 63 27 CONECT 64 27 CONECT 65 27 CONECT 66 29 CONECT 67 30 CONECT 68 30 CONECT 69 32 CONECT 70 32 CONECT 71 33 CONECT 72 33 CONECT 73 37 CONECT 74 37 CONECT 75 39 CONECT 76 39 CONECT 77 40 CONECT 78 40 CONECT 79 42 CONECT 80 42 MASTER 0 0 0 0 0 0 0 0 80 0 80 0 END M END $$$$