D0Y4CG AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.188 -2.402 -0.904 1.00 0.00 C HETATM 2 C UNL 1 1.955 -0.991 -0.945 1.00 0.00 C HETATM 3 C UNL 1 3.591 -1.081 -0.808 1.00 0.00 C HETATM 4 C UNL 1 3.933 -2.447 -0.245 1.00 0.00 C HETATM 5 C UNL 1 3.148 -3.520 -0.026 1.00 0.00 C HETATM 6 C UNL 1 1.694 -3.325 0.198 1.00 0.00 C HETATM 7 C UNL 1 1.319 0.350 -0.587 1.00 0.00 C HETATM 8 C UNL 1 2.263 1.392 -0.402 1.00 0.00 C HETATM 9 C UNL 1 3.476 1.168 0.498 1.00 0.00 C HETATM 10 N UNL 1 4.479 0.049 0.129 1.00 0.00 N1+ HETATM 11 C UNL 1 0.029 0.629 -1.115 1.00 0.00 C HETATM 12 C UNL 1 -0.121 1.808 -1.801 1.00 0.00 C HETATM 13 C UNL 1 0.854 2.752 -1.824 1.00 0.00 C HETATM 14 C UNL 1 2.040 2.618 -1.060 1.00 0.00 C HETATM 15 O UNL 1 -1.139 2.128 -2.654 1.00 0.00 O HETATM 16 C UNL 1 -0.512 3.182 -3.417 1.00 0.00 C HETATM 17 O UNL 1 0.631 3.742 -2.724 1.00 0.00 O HETATM 18 C UNL 1 4.936 -0.899 1.246 1.00 0.00 C HETATM 19 C UNL 1 5.035 -2.321 0.719 1.00 0.00 C HETATM 20 C UNL 1 6.027 0.789 -0.344 1.00 0.00 C HETATM 21 C UNL 1 6.992 1.434 1.019 1.00 0.00 C HETATM 22 C UNL 1 8.632 1.976 0.968 1.00 0.00 C HETATM 23 N UNL 1 9.392 2.858 2.366 1.00 0.00 N1+ HETATM 24 C UNL 1 9.686 4.022 3.616 1.00 0.00 C HETATM 25 C UNL 1 10.675 3.694 4.772 1.00 0.00 C HETATM 26 C UNL 1 12.048 3.303 4.267 1.00 0.00 C HETATM 27 C UNL 1 12.195 2.812 2.953 1.00 0.00 C HETATM 28 C UNL 1 11.037 2.877 1.885 1.00 0.00 C HETATM 29 C UNL 1 8.401 4.479 4.214 1.00 0.00 C HETATM 30 C UNL 1 8.264 5.116 5.391 1.00 0.00 C HETATM 31 C UNL 1 9.415 5.491 6.253 1.00 0.00 C HETATM 32 C UNL 1 10.768 4.932 5.766 1.00 0.00 C HETATM 33 C UNL 1 13.155 3.407 5.163 1.00 0.00 C HETATM 34 C UNL 1 14.388 2.960 4.785 1.00 0.00 C HETATM 35 C UNL 1 14.570 2.421 3.551 1.00 0.00 C HETATM 36 C UNL 1 13.523 2.360 2.624 1.00 0.00 C HETATM 37 O UNL 1 15.502 2.979 5.558 1.00 0.00 O HETATM 38 C UNL 1 16.400 2.211 4.737 1.00 0.00 C HETATM 39 O UNL 1 15.857 1.983 3.402 1.00 0.00 O HETATM 40 C UNL 1 8.241 4.079 1.957 1.00 0.00 C HETATM 41 C UNL 1 7.374 4.229 3.215 1.00 0.00 C HETATM 42 H UNL 1 10.294 2.840 5.339 1.00 0.00 H HETATM 43 O UNL 1 9.433 6.917 6.252 1.00 0.00 O HETATM 44 O UNL 1 1.602 -2.713 1.487 1.00 0.00 O HETATM 45 H UNL 1 1.874 -0.852 -2.041 1.00 0.00 H HETATM 46 O UNL 1 -0.227 -2.429 -0.940 1.00 0.00 O HETATM 47 O UNL 1 11.508 6.028 5.143 1.00 0.00 O HETATM 48 H UNL 1 1.458 -2.896 -1.851 1.00 0.00 H HETATM 49 H UNL 1 4.012 -0.934 -1.809 1.00 0.00 H HETATM 50 H UNL 1 3.551 -4.437 0.399 1.00 0.00 H HETATM 51 H UNL 1 1.145 -4.275 0.232 1.00 0.00 H HETATM 52 H UNL 1 3.126 0.965 1.515 1.00 0.00 H HETATM 53 H UNL 1 4.055 2.096 0.537 1.00 0.00 H HETATM 54 H UNL 1 -0.754 -0.121 -1.201 1.00 0.00 H HETATM 55 H UNL 1 2.752 3.422 -1.063 1.00 0.00 H HETATM 56 H UNL 1 -0.171 2.755 -4.373 1.00 0.00 H HETATM 57 H UNL 1 -1.233 3.976 -3.636 1.00 0.00 H HETATM 58 H UNL 1 4.315 -0.749 2.128 1.00 0.00 H HETATM 59 H UNL 1 5.961 -0.688 1.498 1.00 0.00 H HETATM 60 H UNL 1 4.906 -2.989 1.580 1.00 0.00 H HETATM 61 H UNL 1 5.987 -2.555 0.238 1.00 0.00 H HETATM 62 H UNL 1 5.726 1.602 -1.017 1.00 0.00 H HETATM 63 H UNL 1 6.548 -0.009 -0.880 1.00 0.00 H HETATM 64 H UNL 1 7.074 0.660 1.776 1.00 0.00 H HETATM 65 H UNL 1 6.351 2.214 1.428 1.00 0.00 H HETATM 66 H UNL 1 8.821 2.639 0.108 1.00 0.00 H HETATM 67 H UNL 1 9.276 1.097 0.862 1.00 0.00 H HETATM 68 H UNL 1 10.143 4.866 3.066 1.00 0.00 H HETATM 69 H UNL 1 11.131 3.794 1.296 1.00 0.00 H HETATM 70 H UNL 1 11.147 1.999 1.244 1.00 0.00 H HETATM 71 H UNL 1 7.283 5.419 5.745 1.00 0.00 H HETATM 72 H UNL 1 9.230 5.160 7.278 1.00 0.00 H HETATM 73 H UNL 1 11.330 4.655 6.671 1.00 0.00 H HETATM 74 H UNL 1 13.093 3.827 6.162 1.00 0.00 H HETATM 75 H UNL 1 13.757 1.968 1.629 1.00 0.00 H HETATM 76 H UNL 1 16.568 1.245 5.235 1.00 0.00 H HETATM 77 H UNL 1 17.367 2.727 4.673 1.00 0.00 H HETATM 78 H UNL 1 8.805 4.943 1.601 1.00 0.00 H HETATM 79 H UNL 1 7.569 3.786 1.154 1.00 0.00 H HETATM 80 H UNL 1 6.843 3.307 3.476 1.00 0.00 H HETATM 81 H UNL 1 6.669 5.056 3.128 1.00 0.00 H HETATM 82 H UNL 1 10.073 7.190 5.564 1.00 0.00 H HETATM 83 H UNL 1 1.553 -3.437 2.144 1.00 0.00 H HETATM 84 H UNL 1 -0.510 -3.356 -1.105 1.00 0.00 H HETATM 85 H UNL 1 12.078 6.449 5.868 1.00 0.00 H CONECT 1 2 6 46 48 CONECT 2 1 3 7 45 CONECT 3 2 4 10 49 CONECT 4 3 5 19 CONECT 5 4 6 50 CONECT 6 5 1 44 51 CONECT 7 2 8 11 CONECT 8 7 9 14 CONECT 9 8 10 52 53 CONECT 10 9 3 18 20 CONECT 11 7 12 54 CONECT 12 11 13 15 CONECT 13 12 14 17 CONECT 14 13 8 55 CONECT 15 12 16 CONECT 16 15 17 56 57 CONECT 17 16 13 CONECT 18 10 19 58 59 CONECT 19 4 18 60 61 CONECT 20 10 21 62 63 CONECT 21 20 22 64 65 CONECT 22 21 23 66 67 CONECT 23 24 28 40 22 CONECT 24 23 25 29 68 CONECT 25 24 26 32 42 CONECT 26 25 27 33 CONECT 27 26 28 36 CONECT 28 27 23 69 70 CONECT 29 24 30 41 CONECT 30 29 31 71 CONECT 31 30 32 43 72 CONECT 32 31 25 47 73 CONECT 33 26 34 74 CONECT 34 33 35 37 CONECT 35 34 36 39 CONECT 36 35 27 75 CONECT 37 34 38 CONECT 38 37 39 76 77 CONECT 39 38 35 CONECT 40 23 41 78 79 CONECT 41 40 29 80 81 CONECT 42 25 CONECT 43 31 82 CONECT 44 6 83 CONECT 45 2 CONECT 46 1 84 CONECT 47 32 85 CONECT 48 1 CONECT 49 3 CONECT 50 5 CONECT 51 6 CONECT 52 9 CONECT 53 9 CONECT 54 11 CONECT 55 14 CONECT 56 16 CONECT 57 16 CONECT 58 18 CONECT 59 18 CONECT 60 19 CONECT 61 19 CONECT 62 20 CONECT 63 20 CONECT 64 21 CONECT 65 21 CONECT 66 22 CONECT 67 22 CONECT 68 24 CONECT 69 28 CONECT 70 28 CONECT 71 30 CONECT 72 31 CONECT 73 32 CONECT 74 33 CONECT 75 36 CONECT 76 38 CONECT 77 38 CONECT 78 40 CONECT 79 40 CONECT 80 41 CONECT 81 41 CONECT 82 43 CONECT 83 44 CONECT 84 46 CONECT 85 47 MASTER 0 0 0 0 0 0 0 0 85 0 85 0 END M END $$$$