COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 O LIG 1 -2.045 0.884 -1.370 1.00 0.00 O HETATM 2 O LIG 1 -5.871 3.487 -0.147 1.00 0.00 O HETATM 3 O LIG 1 -3.361 3.334 -1.264 1.00 0.00 O HETATM 4 O LIG 1 2.238 -2.223 -0.903 1.00 0.00 O HETATM 5 O LIG 1 2.942 -3.928 1.178 1.00 0.00 O HETATM 6 O LIG 1 4.656 -2.478 -2.093 1.00 0.00 O HETATM 7 N LIG 1 -4.049 -2.739 -0.196 1.00 0.00 N1+ HETATM 8 N LIG 1 4.885 2.745 1.695 1.00 0.00 N HETATM 9 C LIG 1 -3.092 -1.497 -0.146 1.00 0.00 C HETATM 10 C LIG 1 -5.151 -2.601 0.858 1.00 0.00 C HETATM 11 C LIG 1 -3.854 -0.173 -0.204 1.00 0.00 C HETATM 12 C LIG 1 -5.948 -1.312 0.695 1.00 0.00 C HETATM 13 C LIG 1 -2.200 -1.490 1.133 1.00 0.00 C HETATM 14 C LIG 1 -5.165 -0.088 0.299 1.00 0.00 C HETATM 15 C LIG 1 -3.302 -4.053 0.049 1.00 0.00 C HETATM 16 C LIG 1 -4.661 -2.858 -1.605 1.00 0.00 C HETATM 17 C LIG 1 -3.250 0.994 -0.716 1.00 0.00 C HETATM 18 C LIG 1 -0.862 -2.198 1.070 1.00 0.00 C HETATM 19 C LIG 1 -5.820 1.155 0.321 1.00 0.00 C HETATM 20 C LIG 1 -3.921 2.221 -0.709 1.00 0.00 C HETATM 21 C LIG 1 -5.199 2.303 -0.168 1.00 0.00 C HETATM 22 C LIG 1 0.056 -1.950 0.041 1.00 0.00 C HETATM 23 C LIG 1 -0.472 -3.036 2.128 1.00 0.00 C HETATM 24 C LIG 1 3.667 2.098 1.148 1.00 0.00 C HETATM 25 C LIG 1 3.966 0.840 0.340 1.00 0.00 C HETATM 26 C LIG 1 2.868 3.158 0.327 1.00 0.00 C HETATM 27 C LIG 1 5.922 2.914 0.667 1.00 0.00 C HETATM 28 C LIG 1 1.340 -2.502 0.100 1.00 0.00 C HETATM 29 C LIG 1 5.212 0.662 -0.283 1.00 0.00 C HETATM 30 C LIG 1 6.349 1.613 -0.017 1.00 0.00 C HETATM 31 C LIG 1 -0.954 1.586 -0.907 1.00 0.00 C HETATM 32 C LIG 1 0.796 -3.623 2.154 1.00 0.00 C HETATM 33 C LIG 1 1.499 2.699 -0.121 1.00 0.00 C HETATM 34 C LIG 1 1.708 -3.356 1.138 1.00 0.00 C HETATM 35 C LIG 1 2.976 -0.148 0.185 1.00 0.00 C HETATM 36 C LIG 1 3.194 -1.263 -0.631 1.00 0.00 C HETATM 37 C LIG 1 5.428 -0.464 -1.091 1.00 0.00 C HETATM 38 C LIG 1 5.394 2.056 2.881 1.00 0.00 C HETATM 39 C LIG 1 0.079 1.740 -1.835 1.00 0.00 C HETATM 40 C LIG 1 -0.778 2.030 0.405 1.00 0.00 C HETATM 41 C LIG 1 4.418 -1.408 -1.283 1.00 0.00 C HETATM 42 C LIG 1 1.294 2.302 -1.448 1.00 0.00 C HETATM 43 C LIG 1 0.444 2.586 0.794 1.00 0.00 C HETATM 44 C LIG 1 -5.692 4.314 1.001 1.00 0.00 C HETATM 45 C LIG 1 4.318 -2.334 -3.471 1.00 0.00 C HETATM 46 H LIG 1 -2.481 -1.593 -1.051 1.00 0.00 H HETATM 47 H LIG 1 -4.677 -2.636 1.844 1.00 0.00 H HETATM 48 H LIG 1 -5.807 -3.476 0.776 1.00 0.00 H HETATM 49 H LIG 1 -6.477 -1.116 1.637 1.00 0.00 H HETATM 50 H LIG 1 -6.720 -1.473 -0.069 1.00 0.00 H HETATM 51 H LIG 1 -2.763 -1.852 1.999 1.00 0.00 H HETATM 52 H LIG 1 -1.947 -0.458 1.405 1.00 0.00 H HETATM 53 H LIG 1 -2.445 -4.096 -0.628 1.00 0.00 H HETATM 54 H LIG 1 -2.990 -4.098 1.094 1.00 0.00 H HETATM 55 H LIG 1 -3.987 -4.882 -0.153 1.00 0.00 H HETATM 56 H LIG 1 -5.171 -1.928 -1.866 1.00 0.00 H HETATM 57 H LIG 1 -3.850 -3.050 -2.313 1.00 0.00 H HETATM 58 H LIG 1 -5.372 -3.690 -1.602 1.00 0.00 H HETATM 59 H LIG 1 -6.838 1.220 0.700 1.00 0.00 H HETATM 60 H LIG 1 -0.202 -1.294 -0.784 1.00 0.00 H HETATM 61 H LIG 1 -1.156 -3.234 2.951 1.00 0.00 H HETATM 62 H LIG 1 3.036 1.807 2.000 1.00 0.00 H HETATM 63 H LIG 1 3.433 3.472 -0.560 1.00 0.00 H HETATM 64 H LIG 1 2.734 4.066 0.932 1.00 0.00 H HETATM 65 H LIG 1 6.803 3.410 1.095 1.00 0.00 H HETATM 66 H LIG 1 5.560 3.615 -0.095 1.00 0.00 H HETATM 67 H LIG 1 7.078 1.095 0.620 1.00 0.00 H HETATM 68 H LIG 1 6.852 1.859 -0.960 1.00 0.00 H HETATM 69 H LIG 1 1.067 -4.275 2.979 1.00 0.00 H HETATM 70 H LIG 1 -2.640 3.066 -1.855 1.00 0.00 H HETATM 71 H LIG 1 2.024 -0.014 0.689 1.00 0.00 H HETATM 72 H LIG 1 6.394 -0.606 -1.571 1.00 0.00 H HETATM 73 H LIG 1 6.263 2.585 3.287 1.00 0.00 H HETATM 74 H LIG 1 5.686 1.019 2.686 1.00 0.00 H HETATM 75 H LIG 1 4.637 2.053 3.673 1.00 0.00 H HETATM 76 H LIG 1 -0.044 1.391 -2.857 1.00 0.00 H HETATM 77 H LIG 1 -1.554 1.914 1.156 1.00 0.00 H HETATM 78 H LIG 1 2.097 2.378 -2.177 1.00 0.00 H HETATM 79 H LIG 1 0.583 2.888 1.829 1.00 0.00 H HETATM 80 H LIG 1 -4.641 4.598 1.111 1.00 0.00 H HETATM 81 H LIG 1 -6.038 3.797 1.903 1.00 0.00 H HETATM 82 H LIG 1 -6.288 5.221 0.867 1.00 0.00 H HETATM 83 H LIG 1 3.413 -3.713 0.355 1.00 0.00 H HETATM 84 H LIG 1 4.905 -1.531 -3.927 1.00 0.00 H HETATM 85 H LIG 1 3.249 -2.131 -3.588 1.00 0.00 H HETATM 86 H LIG 1 4.553 -3.272 -3.981 1.00 0.00 H CONECT 1 17 31 CONECT 2 21 44 CONECT 3 20 70 CONECT 4 28 36 CONECT 5 34 83 CONECT 6 41 45 CONECT 7 9 10 15 16 CONECT 7 CONECT 8 24 27 38 CONECT 9 7 11 13 46 CONECT 9 CONECT 10 7 12 47 48 CONECT 10 CONECT 11 9 14 17 CONECT 12 10 14 49 50 CONECT 12 CONECT 13 9 18 51 52 CONECT 13 CONECT 14 11 12 19 CONECT 15 7 53 54 55 CONECT 15 CONECT 16 7 56 57 58 CONECT 16 CONECT 17 1 11 20 CONECT 18 13 22 23 CONECT 19 14 21 59 CONECT 20 3 17 21 CONECT 21 2 19 20 CONECT 22 18 28 60 CONECT 23 18 32 61 CONECT 24 8 25 26 62 CONECT 24 CONECT 25 24 29 35 CONECT 26 24 33 63 64 CONECT 26 CONECT 27 8 30 65 66 CONECT 27 CONECT 28 4 22 34 CONECT 29 25 30 37 CONECT 30 27 29 67 68 CONECT 30 CONECT 31 1 39 40 CONECT 32 23 34 69 CONECT 33 26 42 43 CONECT 34 5 28 32 CONECT 35 25 36 71 CONECT 36 4 35 41 CONECT 37 29 41 72 CONECT 38 8 73 74 75 CONECT 38 CONECT 39 31 42 76 CONECT 40 31 43 77 CONECT 41 6 36 37 CONECT 42 33 39 78 CONECT 43 33 40 79 CONECT 44 2 80 81 82 CONECT 44 CONECT 45 6 84 85 86 CONECT 45 CONECT 46 9 CONECT 47 10 CONECT 48 10 CONECT 49 12 CONECT 50 12 CONECT 51 13 CONECT 52 13 CONECT 53 15 CONECT 54 15 CONECT 55 15 CONECT 56 16 CONECT 57 16 CONECT 58 16 CONECT 59 19 CONECT 60 22 CONECT 61 23 CONECT 62 24 CONECT 63 26 CONECT 64 26 CONECT 65 27 CONECT 66 27 CONECT 67 30 CONECT 68 30 CONECT 69 32 CONECT 70 3 CONECT 71 35 CONECT 72 37 CONECT 73 38 CONECT 74 38 CONECT 75 38 CONECT 76 39 CONECT 77 40 CONECT 78 42 CONECT 79 43 CONECT 80 44 CONECT 81 44 CONECT 82 44 CONECT 83 5 CONECT 84 45 CONECT 85 45 CONECT 86 45 MASTER 0 0 0 0 0 0 0 0 86 0 86 0 END