COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 S UNL 1 -7.454 0.715 0.192 1.00 0.00 S HETATM 2 O UNL 1 -7.491 0.329 1.559 1.00 0.00 O HETATM 3 O UNL 1 -8.504 0.361 -0.698 1.00 0.00 O HETATM 4 C UNL 1 -7.058 2.479 0.040 1.00 0.00 C HETATM 5 C UNL 1 -6.804 2.819 -1.430 1.00 0.00 C HETATM 6 C UNL 1 -8.230 3.312 0.561 1.00 0.00 C HETATM 7 C UNL 1 -5.805 2.793 0.859 1.00 0.00 C HETATM 8 N UNL 1 -6.124 -0.061 -0.416 1.00 0.00 N HETATM 9 C UNL 1 -4.906 -0.168 0.390 1.00 0.00 C HETATM 10 C UNL 1 -4.852 -1.546 1.053 1.00 0.00 C HETATM 11 C UNL 1 -5.953 -1.655 2.076 1.00 0.00 C HETATM 12 C UNL 1 -7.156 -2.245 1.736 1.00 0.00 C HETATM 13 C UNL 1 -5.759 -1.169 3.355 1.00 0.00 C HETATM 14 C UNL 1 -8.167 -2.345 2.674 1.00 0.00 C HETATM 15 C UNL 1 -6.769 -1.269 4.293 1.00 0.00 C HETATM 16 C UNL 1 -7.974 -1.855 3.952 1.00 0.00 C HETATM 17 C UNL 1 -3.700 0.011 -0.496 1.00 0.00 C HETATM 18 O UNL 1 -3.828 0.011 -1.702 1.00 0.00 O HETATM 19 N UNL 1 -2.479 0.170 0.052 1.00 0.00 N HETATM 20 C UNL 1 -1.316 0.410 -0.807 1.00 0.00 C HETATM 21 C UNL 1 -0.137 -0.370 -0.285 1.00 0.00 C HETATM 22 O UNL 1 -0.256 -1.059 0.706 1.00 0.00 O HETATM 23 C UNL 1 -0.980 1.903 -0.805 1.00 0.00 C HETATM 24 C UNL 1 -2.063 2.662 -1.528 1.00 0.00 C HETATM 25 N UNL 1 -3.116 3.267 -0.959 1.00 0.00 N1+ HETATM 26 C UNL 1 -2.139 2.857 -2.859 1.00 0.00 C HETATM 27 C UNL 1 -3.845 3.825 -1.887 1.00 0.00 C HETATM 28 N UNL 1 -3.271 3.593 -3.087 1.00 0.00 N HETATM 29 N UNL 1 1.049 -0.303 -0.921 1.00 0.00 N HETATM 30 C UNL 1 2.219 -0.985 -0.362 1.00 0.00 C HETATM 31 C UNL 1 2.562 -2.200 -1.226 1.00 0.00 C HETATM 32 C UNL 1 1.339 -3.114 -1.329 1.00 0.00 C HETATM 33 C UNL 1 1.762 -4.469 -1.901 1.00 0.00 C HETATM 34 C UNL 1 0.300 -2.474 -2.251 1.00 0.00 C HETATM 35 C UNL 1 0.539 -5.383 -2.004 1.00 0.00 C HETATM 36 C UNL 1 -0.923 -3.388 -2.354 1.00 0.00 C HETATM 37 C UNL 1 -0.501 -4.742 -2.926 1.00 0.00 C HETATM 38 C UNL 1 3.409 -0.023 -0.340 1.00 0.00 C HETATM 39 O UNL 1 3.804 0.276 -1.680 1.00 0.00 O HETATM 40 O UNL 1 3.033 1.183 0.327 1.00 0.00 O HETATM 41 C UNL 1 4.577 -0.674 0.403 1.00 0.00 C HETATM 42 F UNL 1 4.206 -0.922 1.729 1.00 0.00 F HETATM 43 F UNL 1 4.913 -1.880 -0.221 1.00 0.00 F HETATM 44 C UNL 1 5.766 0.252 0.379 1.00 0.00 C HETATM 45 O UNL 1 5.601 1.447 0.252 1.00 0.00 O HETATM 46 O UNL 1 13.017 1.824 1.564 1.00 0.00 O HETATM 47 C UNL 1 13.043 0.959 0.426 1.00 0.00 C HETATM 48 C UNL 1 11.868 -0.019 0.508 1.00 0.00 C HETATM 49 N UNL 1 10.611 0.739 0.603 1.00 0.00 N HETATM 50 C UNL 1 10.620 1.616 1.782 1.00 0.00 C HETATM 51 C UNL 1 11.808 2.578 1.687 1.00 0.00 C HETATM 52 C UNL 1 9.453 -0.164 0.626 1.00 0.00 C HETATM 53 C UNL 1 8.167 0.652 0.474 1.00 0.00 C HETATM 54 N UNL 1 7.012 -0.248 0.498 1.00 0.00 N HETATM 55 H UNL 1 -7.718 2.660 -2.003 1.00 0.00 H HETATM 56 H UNL 1 -6.500 3.863 -1.514 1.00 0.00 H HETATM 57 H UNL 1 -6.014 2.178 -1.821 1.00 0.00 H HETATM 58 H UNL 1 -8.411 3.069 1.608 1.00 0.00 H HETATM 59 H UNL 1 -7.992 4.372 0.470 1.00 0.00 H HETATM 60 H UNL 1 -9.123 3.089 -0.023 1.00 0.00 H HETATM 61 H UNL 1 -4.989 2.144 0.539 1.00 0.00 H HETATM 62 H UNL 1 -5.522 3.834 0.707 1.00 0.00 H HETATM 63 H UNL 1 -6.010 2.623 1.916 1.00 0.00 H HETATM 64 H UNL 1 -6.152 -0.446 -1.306 1.00 0.00 H HETATM 65 H UNL 1 -4.910 0.605 1.159 1.00 0.00 H HETATM 66 H UNL 1 -4.982 -2.319 0.295 1.00 0.00 H HETATM 67 H UNL 1 -3.887 -1.676 1.543 1.00 0.00 H HETATM 68 H UNL 1 -7.307 -2.628 0.737 1.00 0.00 H HETATM 69 H UNL 1 -4.818 -0.712 3.622 1.00 0.00 H HETATM 70 H UNL 1 -9.107 -2.806 2.408 1.00 0.00 H HETATM 71 H UNL 1 -6.617 -0.890 5.293 1.00 0.00 H HETATM 72 H UNL 1 -8.764 -1.933 4.685 1.00 0.00 H HETATM 73 H UNL 1 -2.370 0.126 1.015 1.00 0.00 H HETATM 74 H UNL 1 -1.543 0.090 -1.823 1.00 0.00 H HETATM 75 H UNL 1 -0.912 2.259 0.223 1.00 0.00 H HETATM 76 H UNL 1 -0.027 2.061 -1.309 1.00 0.00 H HETATM 77 H UNL 1 -3.306 3.287 -0.008 1.00 0.00 H HETATM 78 H UNL 1 -1.442 2.501 -3.602 1.00 0.00 H HETATM 79 H UNL 1 -4.755 4.383 -1.722 1.00 0.00 H HETATM 80 H UNL 1 -3.597 3.894 -3.949 1.00 0.00 H HETATM 81 H UNL 1 1.129 0.197 -1.748 1.00 0.00 H HETATM 82 H UNL 1 1.998 -1.313 0.654 1.00 0.00 H HETATM 83 H UNL 1 2.851 -1.867 -2.223 1.00 0.00 H HETATM 84 H UNL 1 3.388 -2.748 -0.772 1.00 0.00 H HETATM 85 H UNL 1 0.908 -3.257 -0.339 1.00 0.00 H HETATM 86 H UNL 1 2.193 -4.326 -2.892 1.00 0.00 H HETATM 87 H UNL 1 2.502 -4.926 -1.245 1.00 0.00 H HETATM 88 H UNL 1 -0.001 -1.508 -1.844 1.00 0.00 H HETATM 89 H UNL 1 0.731 -2.331 -3.242 1.00 0.00 H HETATM 90 H UNL 1 0.840 -6.348 -2.412 1.00 0.00 H HETATM 91 H UNL 1 0.108 -5.526 -1.014 1.00 0.00 H HETATM 92 H UNL 1 -1.355 -3.530 -1.363 1.00 0.00 H HETATM 93 H UNL 1 -1.664 -2.931 -3.011 1.00 0.00 H HETATM 94 H UNL 1 -0.069 -4.600 -3.917 1.00 0.00 H HETATM 95 H UNL 1 -1.372 -5.393 -2.999 1.00 0.00 H HETATM 96 H UNL 1 4.073 -0.498 -2.193 1.00 0.00 H HETATM 97 H UNL 1 2.752 1.055 1.243 1.00 0.00 H HETATM 98 H UNL 1 12.959 1.553 -0.484 1.00 0.00 H HETATM 99 H UNL 1 13.979 0.402 0.413 1.00 0.00 H HETATM 100 H UNL 1 11.850 -0.643 -0.386 1.00 0.00 H HETATM 101 H UNL 1 11.980 -0.650 1.390 1.00 0.00 H HETATM 102 H UNL 1 9.692 2.186 1.819 1.00 0.00 H HETATM 103 H UNL 1 10.713 1.012 2.685 1.00 0.00 H HETATM 104 H UNL 1 11.851 3.192 2.587 1.00 0.00 H HETATM 105 H UNL 1 11.688 3.219 0.814 1.00 0.00 H HETATM 106 H UNL 1 9.530 -0.876 -0.195 1.00 0.00 H HETATM 107 H UNL 1 9.431 -0.702 1.574 1.00 0.00 H HETATM 108 H UNL 1 8.090 1.365 1.295 1.00 0.00 H HETATM 109 H UNL 1 8.189 1.191 -0.473 1.00 0.00 H HETATM 110 H UNL 1 7.143 -1.204 0.599 1.00 0.00 H CONECT 1 2 2 3 3 CONECT 1 4 8 CONECT 2 1 1 CONECT 3 1 1 CONECT 4 1 5 6 7 CONECT 5 4 55 56 57 CONECT 6 4 58 59 60 CONECT 7 4 61 62 63 CONECT 8 64 1 9 CONECT 9 10 17 65 8 CONECT 10 9 11 66 67 CONECT 11 10 12 12 13 CONECT 12 11 11 14 68 CONECT 13 11 15 15 69 CONECT 14 12 16 16 70 CONECT 15 13 13 16 71 CONECT 16 14 14 15 72 CONECT 17 9 18 18 19 CONECT 18 17 17 CONECT 19 20 73 17 CONECT 20 19 21 23 74 CONECT 21 20 22 22 29 CONECT 22 21 21 CONECT 23 20 24 75 76 CONECT 24 23 25 26 26 CONECT 25 24 27 27 77 CONECT 26 24 24 28 78 CONECT 27 25 25 28 79 CONECT 28 26 27 80 CONECT 29 30 81 21 CONECT 30 29 31 38 82 CONECT 31 30 32 83 84 CONECT 32 31 33 34 85 CONECT 33 32 35 86 87 CONECT 34 32 36 88 89 CONECT 35 33 37 90 91 CONECT 36 34 37 92 93 CONECT 37 35 36 94 95 CONECT 38 30 39 40 41 CONECT 39 38 96 CONECT 40 38 97 CONECT 41 38 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 45 45 54 CONECT 45 44 44 CONECT 46 47 51 CONECT 47 46 48 98 99 CONECT 48 47 49 100 101 CONECT 49 48 50 52 CONECT 50 49 51 102 103 CONECT 51 46 50 104 105 CONECT 52 49 53 106 107 CONECT 53 52 54 108 109 CONECT 54 53 110 44 CONECT 55 5 CONECT 56 5 CONECT 57 5 CONECT 58 6 CONECT 59 6 CONECT 60 6 CONECT 61 7 CONECT 62 7 CONECT 63 7 CONECT 64 8 CONECT 65 9 CONECT 66 10 CONECT 67 10 CONECT 68 12 CONECT 69 13 CONECT 70 14 CONECT 71 15 CONECT 72 16 CONECT 73 19 CONECT 74 20 CONECT 75 23 CONECT 76 23 CONECT 77 25 CONECT 78 26 CONECT 79 27 CONECT 80 28 CONECT 81 29 CONECT 82 30 CONECT 83 31 CONECT 84 31 CONECT 85 32 CONECT 86 33 CONECT 87 33 CONECT 88 34 CONECT 89 34 CONECT 90 35 CONECT 91 35 CONECT 92 36 CONECT 93 36 CONECT 94 37 CONECT 95 37 CONECT 96 39 CONECT 97 40 CONECT 98 47 CONECT 99 47 CONECT 100 48 CONECT 101 48 CONECT 102 50 CONECT 103 50 CONECT 104 51 CONECT 105 51 CONECT 106 52 CONECT 107 52 CONECT 108 53 CONECT 109 53 CONECT 110 54 MASTER 0 0 0 0 0 0 0 0 110 0 110 0 END