D07QKP AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 4.631 0.485 -2.379 1.00 0.00 N HETATM 2 C UNL 1 4.958 1.460 -3.237 1.00 0.00 C HETATM 3 N UNL 1 4.761 2.754 -2.994 1.00 0.00 N HETATM 4 C UNL 1 4.031 2.989 -1.892 1.00 0.00 C HETATM 5 C UNL 1 4.450 2.233 -0.791 1.00 0.00 C HETATM 6 C UNL 1 4.309 0.903 -1.134 1.00 0.00 C HETATM 7 C UNL 1 2.612 3.348 -2.498 1.00 0.00 C HETATM 8 N UNL 1 1.277 2.928 -2.293 1.00 0.00 N HETATM 9 C UNL 1 0.502 3.194 -3.434 1.00 0.00 C HETATM 10 C UNL 1 1.254 3.914 -4.323 1.00 0.00 C HETATM 11 C UNL 1 2.511 4.096 -3.695 1.00 0.00 C HETATM 12 C UNL 1 -0.943 2.850 -3.690 1.00 0.00 C HETATM 13 C UNL 1 -1.443 3.289 -5.113 1.00 0.00 C HETATM 14 N UNL 1 -0.479 3.898 -5.986 1.00 0.00 N HETATM 15 C UNL 1 0.802 4.298 -5.667 1.00 0.00 C HETATM 16 O UNL 1 1.508 4.929 -6.450 1.00 0.00 O HETATM 17 C UNL 1 0.646 2.444 -1.057 1.00 0.00 C HETATM 18 C UNL 1 5.928 2.441 -0.256 1.00 0.00 C HETATM 19 C UNL 1 7.141 2.566 -0.067 1.00 0.00 C HETATM 20 C UNL 1 8.594 2.896 -0.363 1.00 0.00 C HETATM 21 C UNL 1 9.833 3.042 0.455 1.00 0.00 C HETATM 22 C UNL 1 10.975 3.791 -0.038 1.00 0.00 C HETATM 23 C UNL 1 10.840 4.174 -1.374 1.00 0.00 C HETATM 24 C UNL 1 9.928 3.575 -2.234 1.00 0.00 C HETATM 25 C UNL 1 8.728 3.133 -1.730 1.00 0.00 C HETATM 26 N UNL 1 12.251 4.322 0.506 1.00 0.00 N HETATM 27 C UNL 1 14.481 4.859 1.537 1.00 0.00 C HETATM 28 C UNL 1 14.573 6.240 1.829 1.00 0.00 C HETATM 29 C UNL 1 15.733 6.969 1.467 1.00 0.00 C HETATM 30 C UNL 1 16.556 6.330 0.547 1.00 0.00 C HETATM 31 C UNL 1 16.865 5.083 1.079 1.00 0.00 C HETATM 32 C UNL 1 15.748 4.254 1.337 1.00 0.00 C HETATM 33 C UNL 1 15.979 6.574 -0.887 1.00 0.00 C HETATM 34 N UNL 1 15.968 5.516 -1.931 1.00 0.00 N HETATM 35 C UNL 1 17.083 5.678 -2.909 1.00 0.00 C HETATM 36 C UNL 1 16.880 5.029 -4.341 1.00 0.00 C HETATM 37 N UNL 1 15.515 5.165 -4.899 1.00 0.00 N HETATM 38 C UNL 1 14.560 4.747 -3.869 1.00 0.00 C HETATM 39 C UNL 1 14.698 5.702 -2.689 1.00 0.00 C HETATM 40 C UNL 1 15.265 4.409 -6.131 1.00 0.00 C HETATM 41 C UNL 1 16.054 4.909 -7.332 1.00 0.00 C HETATM 42 C UNL 1 18.034 5.106 2.120 1.00 0.00 C HETATM 43 F UNL 1 18.642 6.332 2.236 1.00 0.00 F HETATM 44 F UNL 1 17.606 4.819 3.385 1.00 0.00 F HETATM 45 F UNL 1 19.040 4.233 1.854 1.00 0.00 F HETATM 46 N UNL 1 5.614 1.182 -4.425 1.00 0.00 N HETATM 47 C UNL 1 13.124 4.035 1.565 1.00 0.00 C HETATM 48 O UNL 1 12.966 3.189 2.419 1.00 0.00 O HETATM 49 H UNL 1 4.192 0.112 -0.400 1.00 0.00 H HETATM 50 H UNL 1 3.344 4.606 -4.163 1.00 0.00 H HETATM 51 H UNL 1 -1.597 3.342 -2.955 1.00 0.00 H HETATM 52 H UNL 1 -1.120 1.773 -3.588 1.00 0.00 H HETATM 53 H UNL 1 -1.872 2.432 -5.632 1.00 0.00 H HETATM 54 H UNL 1 -2.241 4.023 -5.009 1.00 0.00 H HETATM 55 H UNL 1 -0.735 4.165 -6.922 1.00 0.00 H HETATM 56 H UNL 1 -0.350 2.096 -1.270 1.00 0.00 H HETATM 57 H UNL 1 0.610 3.281 -0.376 1.00 0.00 H HETATM 58 H UNL 1 1.248 1.609 -0.665 1.00 0.00 H HETATM 59 H UNL 1 9.869 2.627 1.459 1.00 0.00 H HETATM 60 H UNL 1 11.230 5.147 -1.676 1.00 0.00 H HETATM 61 H UNL 1 10.311 3.015 -3.095 1.00 0.00 H HETATM 62 H UNL 1 7.912 2.931 -2.422 1.00 0.00 H HETATM 63 H UNL 1 12.724 4.907 -0.177 1.00 0.00 H HETATM 64 H UNL 1 13.791 6.761 2.370 1.00 0.00 H HETATM 65 H UNL 1 15.859 8.035 1.657 1.00 0.00 H HETATM 66 H UNL 1 15.897 3.222 1.648 1.00 0.00 H HETATM 67 H UNL 1 16.328 7.541 -1.270 1.00 0.00 H HETATM 68 H UNL 1 14.912 6.749 -0.686 1.00 0.00 H HETATM 69 H UNL 1 17.996 5.254 -2.472 1.00 0.00 H HETATM 70 H UNL 1 17.274 6.745 -3.079 1.00 0.00 H HETATM 71 H UNL 1 17.157 3.968 -4.286 1.00 0.00 H HETATM 72 H UNL 1 17.589 5.518 -5.021 1.00 0.00 H HETATM 73 H UNL 1 14.722 3.707 -3.553 1.00 0.00 H HETATM 74 H UNL 1 13.532 4.819 -4.246 1.00 0.00 H HETATM 75 H UNL 1 13.838 5.539 -2.031 1.00 0.00 H HETATM 76 H UNL 1 14.626 6.739 -3.058 1.00 0.00 H HETATM 77 H UNL 1 14.205 4.519 -6.397 1.00 0.00 H HETATM 78 H UNL 1 15.441 3.334 -5.987 1.00 0.00 H HETATM 79 H UNL 1 15.926 5.988 -7.469 1.00 0.00 H HETATM 80 H UNL 1 15.692 4.416 -8.242 1.00 0.00 H HETATM 81 H UNL 1 17.120 4.689 -7.233 1.00 0.00 H HETATM 82 H UNL 1 6.588 1.387 -4.219 1.00 0.00 H HETATM 83 H UNL 1 5.317 1.943 -5.034 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 46 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 18 CONECT 6 5 1 49 CONECT 7 4 8 11 CONECT 8 7 9 17 CONECT 9 8 10 12 CONECT 10 9 11 15 CONECT 11 10 7 50 CONECT 12 9 13 51 52 CONECT 13 12 14 53 54 CONECT 14 13 15 55 CONECT 15 14 10 16 CONECT 16 15 CONECT 17 8 56 57 58 CONECT 18 5 19 CONECT 19 18 20 CONECT 20 19 21 25 CONECT 21 20 22 59 CONECT 22 21 23 26 CONECT 23 22 24 60 CONECT 24 23 25 61 CONECT 25 24 20 62 CONECT 26 22 47 63 CONECT 27 28 32 47 CONECT 28 27 29 64 CONECT 29 28 30 65 CONECT 30 29 31 33 CONECT 31 30 32 42 CONECT 32 31 27 66 CONECT 33 30 34 67 68 CONECT 34 33 35 39 CONECT 35 34 36 69 70 CONECT 36 35 37 71 72 CONECT 37 36 38 40 CONECT 38 37 39 73 74 CONECT 39 38 34 75 76 CONECT 40 37 41 77 78 CONECT 41 40 79 80 81 CONECT 42 31 43 44 45 CONECT 43 42 CONECT 44 42 CONECT 45 42 CONECT 46 2 82 83 CONECT 47 26 48 27 CONECT 48 47 CONECT 49 6 CONECT 50 11 CONECT 51 12 CONECT 52 12 CONECT 53 13 CONECT 54 13 CONECT 55 14 CONECT 56 17 CONECT 57 17 CONECT 58 17 CONECT 59 21 CONECT 60 23 CONECT 61 24 CONECT 62 25 CONECT 63 26 CONECT 64 28 CONECT 65 29 CONECT 66 32 CONECT 67 33 CONECT 68 33 CONECT 69 35 CONECT 70 35 CONECT 71 36 CONECT 72 36 CONECT 73 38 CONECT 74 38 CONECT 75 39 CONECT 76 39 CONECT 77 40 CONECT 78 40 CONECT 79 41 CONECT 80 41 CONECT 81 41 CONECT 82 46 CONECT 83 46 MASTER 0 0 0 0 0 0 0 0 83 0 83 0 END M END $$$$