COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 O UNL 1 7.477 -4.024 1.891 1.00 0.00 O HETATM 2 C UNL 1 6.325 -4.585 1.258 1.00 0.00 C HETATM 3 C UNL 1 6.362 -4.270 -0.239 1.00 0.00 C HETATM 4 C UNL 1 5.129 -4.870 -0.917 1.00 0.00 C HETATM 5 C UNL 1 5.061 -3.984 1.875 1.00 0.00 C HETATM 6 C UNL 1 3.828 -4.585 1.196 1.00 0.00 C HETATM 7 C UNL 1 3.864 -4.269 -0.300 1.00 0.00 C HETATM 8 N UNL 1 3.869 -2.817 -0.493 1.00 0.00 N HETATM 9 C UNL 1 2.676 -2.118 -0.511 1.00 0.00 C HETATM 10 C UNL 1 2.667 -0.723 -0.695 1.00 0.00 C HETATM 11 C UNL 1 3.932 0.029 -0.876 1.00 0.00 C HETATM 12 C UNL 1 4.069 0.923 -1.937 1.00 0.00 C HETATM 13 C UNL 1 5.249 1.620 -2.101 1.00 0.00 C HETATM 14 C UNL 1 6.294 1.433 -1.214 1.00 0.00 C HETATM 15 C UNL 1 7.580 2.198 -1.397 1.00 0.00 C HETATM 16 N UNL 1 7.504 3.467 -0.661 1.00 0.00 N HETATM 17 C UNL 1 8.633 4.342 -1.003 1.00 0.00 C HETATM 18 C UNL 1 8.476 5.681 -0.278 1.00 0.00 C HETATM 19 N UNL 1 8.416 5.446 1.171 1.00 0.00 N HETATM 20 C UNL 1 9.683 4.890 1.667 1.00 0.00 C HETATM 21 C UNL 1 7.287 4.570 1.514 1.00 0.00 C HETATM 22 C UNL 1 7.445 3.231 0.789 1.00 0.00 C HETATM 23 C UNL 1 6.163 0.548 -0.159 1.00 0.00 C HETATM 24 C UNL 1 4.986 -0.150 0.018 1.00 0.00 C HETATM 25 C UNL 1 1.437 -0.067 -0.704 1.00 0.00 C HETATM 26 N UNL 1 0.330 -0.771 -0.540 1.00 0.00 N HETATM 27 C UNL 1 0.375 -2.085 -0.369 1.00 0.00 C HETATM 28 N UNL 1 -0.810 -2.781 -0.201 1.00 0.00 N HETATM 29 C UNL 1 -2.018 -2.089 -0.099 1.00 0.00 C HETATM 30 C UNL 1 -3.183 -2.647 -0.617 1.00 0.00 C HETATM 31 C UNL 1 -4.376 -1.967 -0.519 1.00 0.00 C HETATM 32 C UNL 1 -4.416 -0.715 0.103 1.00 0.00 C HETATM 33 C UNL 1 -5.656 -0.005 0.208 1.00 0.00 C HETATM 34 C UNL 1 -6.672 0.577 0.294 1.00 0.00 C HETATM 35 C UNL 1 -7.911 1.288 0.398 1.00 0.00 C HETATM 36 N UNL 1 -7.942 2.478 0.991 1.00 0.00 N HETATM 37 C UNL 1 -9.061 3.161 1.107 1.00 0.00 C HETATM 38 C UNL 1 -10.253 2.663 0.614 1.00 0.00 C HETATM 39 C UNL 1 -10.267 1.423 -0.013 1.00 0.00 C HETATM 40 C UNL 1 -11.550 0.853 -0.562 1.00 0.00 C HETATM 41 O UNL 1 -12.637 1.763 -0.325 1.00 0.00 O HETATM 42 C UNL 1 -13.803 0.967 -0.050 1.00 0.00 C HETATM 43 C UNL 1 -13.311 -0.497 -0.098 1.00 0.00 C HETATM 44 O UNL 1 -11.888 -0.367 0.133 1.00 0.00 O HETATM 45 C UNL 1 -9.078 0.728 -0.128 1.00 0.00 C HETATM 46 C UNL 1 -3.243 -0.158 0.623 1.00 0.00 C HETATM 47 C UNL 1 -2.055 -0.847 0.525 1.00 0.00 C HETATM 48 N UNL 1 1.519 -2.752 -0.358 1.00 0.00 N HETATM 49 H UNL 1 7.519 -4.185 2.844 1.00 0.00 H HETATM 50 H UNL 1 6.322 -5.665 1.401 1.00 0.00 H HETATM 51 H UNL 1 6.366 -3.189 -0.383 1.00 0.00 H HETATM 52 H UNL 1 7.263 -4.698 -0.678 1.00 0.00 H HETATM 53 H UNL 1 5.155 -4.646 -1.983 1.00 0.00 H HETATM 54 H UNL 1 5.125 -5.951 -0.773 1.00 0.00 H HETATM 55 H UNL 1 5.034 -4.209 2.941 1.00 0.00 H HETATM 56 H UNL 1 5.064 -2.904 1.731 1.00 0.00 H HETATM 57 H UNL 1 3.824 -5.665 1.340 1.00 0.00 H HETATM 58 H UNL 1 2.927 -4.157 1.636 1.00 0.00 H HETATM 59 H UNL 1 2.986 -4.697 -0.784 1.00 0.00 H HETATM 60 H UNL 1 4.709 -2.346 -0.609 1.00 0.00 H HETATM 61 H UNL 1 3.254 1.069 -2.630 1.00 0.00 H HETATM 62 H UNL 1 5.356 2.312 -2.922 1.00 0.00 H HETATM 63 H UNL 1 8.412 1.606 -1.017 1.00 0.00 H HETATM 64 H UNL 1 7.733 2.401 -2.457 1.00 0.00 H HETATM 65 H UNL 1 9.566 3.870 -0.696 1.00 0.00 H HETATM 66 H UNL 1 8.649 4.512 -2.080 1.00 0.00 H HETATM 67 H UNL 1 9.327 6.321 -0.508 1.00 0.00 H HETATM 68 H UNL 1 7.556 6.166 -0.606 1.00 0.00 H HETATM 69 H UNL 1 10.492 5.590 1.459 1.00 0.00 H HETATM 70 H UNL 1 9.611 4.726 2.742 1.00 0.00 H HETATM 71 H UNL 1 9.884 3.943 1.167 1.00 0.00 H HETATM 72 H UNL 1 7.272 4.401 2.591 1.00 0.00 H HETATM 73 H UNL 1 6.354 5.042 1.207 1.00 0.00 H HETATM 74 H UNL 1 6.593 2.591 1.019 1.00 0.00 H HETATM 75 H UNL 1 8.364 2.746 1.116 1.00 0.00 H HETATM 76 H UNL 1 6.983 0.406 0.530 1.00 0.00 H HETATM 77 H UNL 1 4.884 -0.838 0.844 1.00 0.00 H HETATM 78 H UNL 1 1.389 1.003 -0.843 1.00 0.00 H HETATM 79 H UNL 1 -0.801 -3.750 -0.155 1.00 0.00 H HETATM 80 H UNL 1 -3.151 -3.614 -1.097 1.00 0.00 H HETATM 81 H UNL 1 -5.280 -2.400 -0.922 1.00 0.00 H HETATM 82 H UNL 1 -9.049 4.125 1.594 1.00 0.00 H HETATM 83 H UNL 1 -11.165 3.232 0.715 1.00 0.00 H HETATM 84 H UNL 1 -11.447 0.660 -1.630 1.00 0.00 H HETATM 85 H UNL 1 -14.197 1.201 0.939 1.00 0.00 H HETATM 86 H UNL 1 -14.565 1.135 -0.811 1.00 0.00 H HETATM 87 H UNL 1 -13.778 -1.087 0.690 1.00 0.00 H HETATM 88 H UNL 1 -13.505 -0.936 -1.077 1.00 0.00 H HETATM 89 H UNL 1 -9.052 -0.237 -0.613 1.00 0.00 H HETATM 90 H UNL 1 -3.270 0.808 1.104 1.00 0.00 H HETATM 91 H UNL 1 -1.149 -0.420 0.930 1.00 0.00 H CONECT 1 2 49 CONECT 2 1 3 5 50 CONECT 3 2 4 51 52 CONECT 4 3 7 53 54 CONECT 5 2 6 55 56 CONECT 6 5 7 57 58 CONECT 7 4 6 8 59 CONECT 8 7 9 60 CONECT 9 8 10 10 48 CONECT 10 9 9 11 25 CONECT 11 10 12 12 24 CONECT 12 11 11 13 61 CONECT 13 12 14 14 62 CONECT 14 13 13 15 23 CONECT 15 14 16 63 64 CONECT 16 15 17 22 CONECT 17 16 18 65 66 CONECT 18 17 19 67 68 CONECT 19 18 20 21 CONECT 20 19 69 70 71 CONECT 21 19 22 72 73 CONECT 22 16 21 74 75 CONECT 23 14 24 24 76 CONECT 24 11 23 23 77 CONECT 25 10 26 26 78 CONECT 26 25 25 27 CONECT 27 26 28 48 48 CONECT 28 27 79 29 CONECT 29 30 30 47 28 CONECT 30 29 29 31 80 CONECT 31 30 32 32 81 CONECT 32 31 31 33 46 CONECT 33 32 34 34 34 CONECT 34 33 33 33 35 CONECT 35 34 36 36 45 CONECT 36 35 35 37 CONECT 37 36 38 38 82 CONECT 38 37 37 39 83 CONECT 39 38 40 45 45 CONECT 40 39 41 44 84 CONECT 41 40 42 CONECT 42 41 43 85 86 CONECT 43 42 44 87 88 CONECT 44 40 43 CONECT 45 35 39 39 89 CONECT 46 32 47 47 90 CONECT 47 29 46 46 91 CONECT 48 9 27 27 CONECT 49 1 CONECT 50 2 CONECT 51 3 CONECT 52 3 CONECT 53 4 CONECT 54 4 CONECT 55 5 CONECT 56 5 CONECT 57 6 CONECT 58 6 CONECT 59 7 CONECT 60 8 CONECT 61 12 CONECT 62 13 CONECT 63 15 CONECT 64 15 CONECT 65 17 CONECT 66 17 CONECT 67 18 CONECT 68 18 CONECT 69 20 CONECT 70 20 CONECT 71 20 CONECT 72 21 CONECT 73 21 CONECT 74 22 CONECT 75 22 CONECT 76 23 CONECT 77 24 CONECT 78 25 CONECT 79 28 CONECT 80 30 CONECT 81 31 CONECT 82 37 CONECT 83 38 CONECT 84 40 CONECT 85 42 CONECT 86 42 CONECT 87 43 CONECT 88 43 CONECT 89 45 CONECT 90 46 CONECT 91 47 MASTER 0 0 0 0 0 0 0 0 91 0 91 0 END