COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 C UNL 1 -2.003 -1.433 -0.696 1.00 0.00 C HETATM 2 O UNL 1 -2.337 -1.531 0.466 1.00 0.00 O HETATM 3 N UNL 1 -0.696 -1.370 -1.019 1.00 0.00 N HETATM 4 C UNL 1 0.322 -1.420 0.034 1.00 0.00 C HETATM 5 C UNL 1 0.628 -2.879 0.378 1.00 0.00 C HETATM 6 C UNL 1 -0.596 -3.521 0.977 1.00 0.00 C HETATM 7 C UNL 1 -1.517 -4.149 0.159 1.00 0.00 C HETATM 8 C UNL 1 -0.796 -3.488 2.344 1.00 0.00 C HETATM 9 C UNL 1 -2.641 -4.739 0.708 1.00 0.00 C HETATM 10 C UNL 1 -1.919 -4.077 2.893 1.00 0.00 C HETATM 11 C UNL 1 -2.843 -4.701 2.075 1.00 0.00 C HETATM 12 C UNL 1 1.598 -0.733 -0.457 1.00 0.00 C HETATM 13 O UNL 1 2.147 -1.473 -1.550 1.00 0.00 O HETATM 14 C UNL 1 2.616 -0.674 0.682 1.00 0.00 C HETATM 15 N UNL 1 3.794 0.090 0.248 1.00 0.00 N HETATM 16 C UNL 1 4.796 0.167 1.319 1.00 0.00 C HETATM 17 C UNL 1 5.986 0.956 0.838 1.00 0.00 C HETATM 18 C UNL 1 6.025 2.326 1.019 1.00 0.00 C HETATM 19 C UNL 1 7.115 3.054 0.579 1.00 0.00 C HETATM 20 C UNL 1 8.170 2.414 -0.042 1.00 0.00 C HETATM 21 C UNL 1 8.134 1.038 -0.225 1.00 0.00 C HETATM 22 C UNL 1 7.039 0.309 0.222 1.00 0.00 C HETATM 23 N UNL 1 9.198 0.387 -0.854 1.00 0.00 N HETATM 24 C UNL 1 10.354 1.157 -1.321 1.00 0.00 C HETATM 25 C UNL 1 9.159 -1.065 -1.046 1.00 0.00 C HETATM 26 C UNL 1 -3.050 -1.388 -1.779 1.00 0.00 C HETATM 27 N UNL 1 -4.332 -1.908 -1.280 1.00 0.00 N HETATM 28 C UNL 1 -5.256 -0.942 -1.350 1.00 0.00 C HETATM 29 O UNL 1 -6.410 -1.101 -1.000 1.00 0.00 O HETATM 30 N UNL 1 -4.795 0.216 -1.840 1.00 0.00 N HETATM 31 C UNL 1 -3.368 0.070 -2.163 1.00 0.00 C HETATM 32 C UNL 1 -5.587 1.435 -2.025 1.00 0.00 C HETATM 33 C UNL 1 -5.518 2.274 -0.775 1.00 0.00 C HETATM 34 C UNL 1 -4.521 3.219 -0.633 1.00 0.00 C HETATM 35 C UNL 1 -4.458 3.991 0.518 1.00 0.00 C HETATM 36 C UNL 1 -5.396 3.811 1.523 1.00 0.00 C HETATM 37 C UNL 1 -6.391 2.864 1.377 1.00 0.00 C HETATM 38 C UNL 1 -6.455 2.100 0.226 1.00 0.00 C HETATM 39 O UNL 1 -3.478 4.922 0.660 1.00 0.00 O HETATM 40 C UNL 1 -3.474 5.681 1.872 1.00 0.00 C HETATM 41 H UNL 1 -0.429 -1.291 -1.948 1.00 0.00 H HETATM 42 H UNL 1 -0.048 -0.907 0.922 1.00 0.00 H HETATM 43 H UNL 1 0.913 -3.414 -0.528 1.00 0.00 H HETATM 44 H UNL 1 1.447 -2.918 1.096 1.00 0.00 H HETATM 45 H UNL 1 -1.359 -4.179 -0.909 1.00 0.00 H HETATM 46 H UNL 1 -0.074 -3.001 2.984 1.00 0.00 H HETATM 47 H UNL 1 -3.360 -5.229 0.069 1.00 0.00 H HETATM 48 H UNL 1 -2.075 -4.051 3.962 1.00 0.00 H HETATM 49 H UNL 1 -3.721 -5.161 2.504 1.00 0.00 H HETATM 50 H UNL 1 1.362 0.279 -0.786 1.00 0.00 H HETATM 51 H UNL 1 2.380 -2.385 -1.329 1.00 0.00 H HETATM 52 H UNL 1 2.166 -0.188 1.548 1.00 0.00 H HETATM 53 H UNL 1 2.919 -1.686 0.951 1.00 0.00 H HETATM 54 H UNL 1 4.191 -0.305 -0.591 1.00 0.00 H HETATM 55 H UNL 1 4.361 0.660 2.189 1.00 0.00 H HETATM 56 H UNL 1 5.114 -0.839 1.593 1.00 0.00 H HETATM 57 H UNL 1 5.201 2.829 1.504 1.00 0.00 H HETATM 58 H UNL 1 7.142 4.124 0.721 1.00 0.00 H HETATM 59 H UNL 1 9.021 2.984 -0.386 1.00 0.00 H HETATM 60 H UNL 1 7.010 -0.762 0.085 1.00 0.00 H HETATM 61 H UNL 1 11.097 1.215 -0.525 1.00 0.00 H HETATM 62 H UNL 1 10.790 0.666 -2.191 1.00 0.00 H HETATM 63 H UNL 1 10.035 2.163 -1.593 1.00 0.00 H HETATM 64 H UNL 1 8.294 -1.327 -1.654 1.00 0.00 H HETATM 65 H UNL 1 10.069 -1.389 -1.549 1.00 0.00 H HETATM 66 H UNL 1 9.084 -1.558 -0.076 1.00 0.00 H HETATM 67 H UNL 1 -2.721 -1.953 -2.651 1.00 0.00 H HETATM 68 H UNL 1 -4.483 -2.809 -0.953 1.00 0.00 H HETATM 69 H UNL 1 -2.769 0.762 -1.571 1.00 0.00 H HETATM 70 H UNL 1 -3.198 0.231 -3.228 1.00 0.00 H HETATM 71 H UNL 1 -5.189 2.003 -2.866 1.00 0.00 H HETATM 72 H UNL 1 -6.624 1.167 -2.226 1.00 0.00 H HETATM 73 H UNL 1 -3.791 3.357 -1.417 1.00 0.00 H HETATM 74 H UNL 1 -5.349 4.411 2.421 1.00 0.00 H HETATM 75 H UNL 1 -7.122 2.724 2.159 1.00 0.00 H HETATM 76 H UNL 1 -7.236 1.363 0.112 1.00 0.00 H HETATM 77 H UNL 1 -4.413 6.227 1.961 1.00 0.00 H HETATM 78 H UNL 1 -3.365 5.007 2.722 1.00 0.00 H HETATM 79 H UNL 1 -2.643 6.385 1.857 1.00 0.00 H CONECT 1 2 2 3 26 CONECT 2 1 1 CONECT 3 1 4 41 CONECT 4 3 5 12 42 CONECT 5 4 6 43 44 CONECT 6 5 7 7 8 CONECT 7 6 6 9 45 CONECT 8 6 10 10 46 CONECT 9 7 11 11 47 CONECT 10 8 8 11 48 CONECT 11 9 9 10 49 CONECT 12 4 13 14 50 CONECT 13 12 51 CONECT 14 12 15 52 53 CONECT 15 14 16 54 CONECT 16 15 17 55 56 CONECT 17 16 18 18 22 CONECT 18 17 17 19 57 CONECT 19 18 20 20 58 CONECT 20 19 19 21 59 CONECT 21 20 22 22 23 CONECT 22 17 21 21 60 CONECT 23 21 24 25 CONECT 24 23 61 62 63 CONECT 25 23 64 65 66 CONECT 26 1 27 31 67 CONECT 27 26 28 68 CONECT 28 27 29 29 30 CONECT 29 28 28 CONECT 30 28 31 32 CONECT 31 26 30 69 70 CONECT 32 30 33 71 72 CONECT 33 32 34 34 38 CONECT 34 33 33 35 73 CONECT 35 34 36 36 39 CONECT 36 35 35 37 74 CONECT 37 36 38 38 75 CONECT 38 33 37 37 76 CONECT 39 35 40 CONECT 40 39 77 78 79 CONECT 41 3 CONECT 42 4 CONECT 43 5 CONECT 44 5 CONECT 45 7 CONECT 46 8 CONECT 47 9 CONECT 48 10 CONECT 49 11 CONECT 50 12 CONECT 51 13 CONECT 52 14 CONECT 53 14 CONECT 54 15 CONECT 55 16 CONECT 56 16 CONECT 57 18 CONECT 58 19 CONECT 59 20 CONECT 60 22 CONECT 61 24 CONECT 62 24 CONECT 63 24 CONECT 64 25 CONECT 65 25 CONECT 66 25 CONECT 67 26 CONECT 68 27 CONECT 69 31 CONECT 70 31 CONECT 71 32 CONECT 72 32 CONECT 73 34 CONECT 74 36 CONECT 75 37 CONECT 76 38 CONECT 77 40 CONECT 78 40 CONECT 79 40 MASTER 0 0 0 0 0 0 0 0 79 0 79 0 END