D0TI0R AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.837 2.509 0.397 1.00 0.00 C HETATM 2 C UNL 1 3.034 3.485 1.397 1.00 0.00 C HETATM 3 C UNL 1 3.557 3.165 2.708 1.00 0.00 C HETATM 4 C UNL 1 3.559 1.792 2.911 1.00 0.00 C HETATM 5 C UNL 1 4.089 1.069 1.821 1.00 0.00 C HETATM 6 C UNL 1 3.378 1.254 0.618 1.00 0.00 C HETATM 7 C UNL 1 1.944 1.386 3.094 1.00 0.00 C HETATM 8 C UNL 1 4.031 4.244 3.652 1.00 0.00 C HETATM 9 N UNL 1 3.958 5.440 2.977 1.00 0.00 N HETATM 10 C UNL 1 4.447 6.558 3.498 1.00 0.00 C HETATM 11 N UNL 1 5.034 6.706 4.685 1.00 0.00 N HETATM 12 C UNL 1 5.065 5.565 5.397 1.00 0.00 C HETATM 13 C UNL 1 4.576 4.308 5.016 1.00 0.00 C HETATM 14 N UNL 1 5.640 5.520 6.656 1.00 0.00 N HETATM 15 C UNL 1 5.464 4.301 7.273 1.00 0.00 C HETATM 16 C UNL 1 4.829 3.519 6.255 1.00 0.00 C HETATM 17 C UNL 1 5.906 3.926 8.770 1.00 0.00 C HETATM 18 N UNL 1 5.448 0.541 1.645 1.00 0.00 N HETATM 19 O UNL 1 1.732 0.219 3.863 1.00 0.00 O HETATM 20 O UNL 1 7.907 -0.918 -0.304 1.00 0.00 O HETATM 21 C UNL 1 8.729 0.026 0.360 1.00 0.00 C HETATM 22 C UNL 1 8.378 0.855 1.504 1.00 0.00 C HETATM 23 C UNL 1 6.781 1.197 2.153 1.00 0.00 C HETATM 24 C UNL 1 9.978 -0.056 -0.247 1.00 0.00 C HETATM 25 C UNL 1 11.111 0.487 0.316 1.00 0.00 C HETATM 26 C UNL 1 10.885 1.224 1.493 1.00 0.00 C HETATM 27 C UNL 1 9.551 1.429 2.055 1.00 0.00 C HETATM 28 C UNL 1 12.382 0.134 -0.440 1.00 0.00 C HETATM 29 C UNL 1 13.706 -0.351 0.065 1.00 0.00 C HETATM 30 C UNL 1 12.706 -1.369 -0.366 1.00 0.00 C HETATM 31 O UNL 1 6.725 2.053 3.042 1.00 0.00 O HETATM 32 C UNL 1 5.431 -0.588 0.614 1.00 0.00 C HETATM 33 C UNL 1 6.825 -1.021 0.546 1.00 0.00 C HETATM 34 F UNL 1 9.495 2.157 3.181 1.00 0.00 F HETATM 35 C UNL 1 6.653 4.584 9.778 1.00 0.00 C HETATM 36 N UNL 1 6.795 3.712 10.901 1.00 0.00 N HETATM 37 N UNL 1 6.040 2.606 10.687 1.00 0.00 N HETATM 38 C UNL 1 5.536 2.743 9.451 1.00 0.00 C HETATM 39 C UNL 1 7.454 3.823 12.279 1.00 0.00 C HETATM 40 C UNL 1 8.186 5.140 12.589 1.00 0.00 C HETATM 41 C UNL 1 9.243 5.165 13.701 1.00 0.00 C HETATM 42 C UNL 1 9.695 3.900 14.393 1.00 0.00 C HETATM 43 N UNL 1 9.198 2.628 13.930 1.00 0.00 N HETATM 44 C UNL 1 8.281 2.540 12.739 1.00 0.00 C HETATM 45 C UNL 1 9.840 1.563 14.601 1.00 0.00 C HETATM 46 C UNL 1 9.560 0.153 14.212 1.00 0.00 C HETATM 47 C UNL 1 10.235 -0.864 14.740 1.00 0.00 C HETATM 48 O UNL 1 10.656 1.753 15.509 1.00 0.00 O HETATM 49 H UNL 1 2.385 2.746 -0.564 1.00 0.00 H HETATM 50 H UNL 1 2.789 4.510 1.125 1.00 0.00 H HETATM 51 H UNL 1 3.381 0.563 -0.218 1.00 0.00 H HETATM 52 H UNL 1 1.432 1.232 2.127 1.00 0.00 H HETATM 53 H UNL 1 1.399 2.219 3.559 1.00 0.00 H HETATM 54 H UNL 1 4.356 7.441 2.875 1.00 0.00 H HETATM 55 H UNL 1 6.087 6.329 7.059 1.00 0.00 H HETATM 56 H UNL 1 4.552 2.479 6.370 1.00 0.00 H HETATM 57 H UNL 1 1.985 -0.529 3.299 1.00 0.00 H HETATM 58 H UNL 1 10.068 -0.647 -1.160 1.00 0.00 H HETATM 59 H UNL 1 11.739 1.656 2.015 1.00 0.00 H HETATM 60 H UNL 1 12.412 0.547 -1.453 1.00 0.00 H HETATM 61 H UNL 1 13.936 -0.259 1.115 1.00 0.00 H HETATM 62 H UNL 1 14.567 -0.245 -0.591 1.00 0.00 H HETATM 63 H UNL 1 12.250 -1.974 0.413 1.00 0.00 H HETATM 64 H UNL 1 12.835 -1.905 -1.301 1.00 0.00 H HETATM 65 H UNL 1 5.128 -0.233 -0.383 1.00 0.00 H HETATM 66 H UNL 1 4.766 -1.384 0.952 1.00 0.00 H HETATM 67 H UNL 1 7.150 -1.330 1.552 1.00 0.00 H HETATM 68 H UNL 1 6.806 0.043 0.325 1.00 0.00 H HETATM 69 H UNL 1 7.108 5.565 9.818 1.00 0.00 H HETATM 70 H UNL 1 4.882 1.965 9.084 1.00 0.00 H HETATM 71 H UNL 1 6.571 3.834 12.940 1.00 0.00 H HETATM 72 H UNL 1 7.427 5.882 12.880 1.00 0.00 H HETATM 73 H UNL 1 8.650 5.545 11.686 1.00 0.00 H HETATM 74 H UNL 1 10.147 5.637 13.291 1.00 0.00 H HETATM 75 H UNL 1 8.932 5.863 14.490 1.00 0.00 H HETATM 76 H UNL 1 9.462 3.966 15.468 1.00 0.00 H HETATM 77 H UNL 1 10.797 3.869 14.354 1.00 0.00 H HETATM 78 H UNL 1 7.555 1.757 12.995 1.00 0.00 H HETATM 79 H UNL 1 8.884 2.158 11.910 1.00 0.00 H HETATM 80 H UNL 1 8.761 -0.028 13.502 1.00 0.00 H HETATM 81 H UNL 1 11.033 -0.711 15.470 1.00 0.00 H HETATM 82 H UNL 1 10.010 -1.894 14.488 1.00 0.00 H CONECT 1 2 6 49 CONECT 2 1 3 50 CONECT 3 2 4 8 CONECT 4 3 5 7 CONECT 5 4 6 18 CONECT 6 5 1 51 CONECT 7 4 19 52 53 CONECT 8 3 9 13 CONECT 9 8 10 CONECT 10 9 11 54 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 8 16 CONECT 14 12 15 55 CONECT 15 14 16 17 CONECT 16 15 13 56 CONECT 17 15 35 38 CONECT 18 5 23 32 CONECT 19 7 57 CONECT 20 21 33 CONECT 21 20 22 24 CONECT 22 21 23 27 CONECT 23 22 18 31 CONECT 24 21 25 58 CONECT 25 24 26 28 CONECT 26 25 27 59 CONECT 27 26 22 34 CONECT 28 25 29 30 60 CONECT 29 28 30 61 62 CONECT 30 29 28 63 64 CONECT 31 23 CONECT 32 18 33 65 66 CONECT 33 32 20 67 68 CONECT 34 27 CONECT 35 17 36 69 CONECT 36 35 37 39 CONECT 37 36 38 CONECT 38 37 17 70 CONECT 39 36 40 44 71 CONECT 40 39 41 72 73 CONECT 41 40 42 74 75 CONECT 42 41 43 76 77 CONECT 43 42 44 45 CONECT 44 43 39 78 79 CONECT 45 43 46 48 CONECT 46 45 47 80 CONECT 47 46 81 82 CONECT 48 45 CONECT 49 1 CONECT 50 2 CONECT 51 6 CONECT 52 7 CONECT 53 7 CONECT 54 10 CONECT 55 14 CONECT 56 16 CONECT 57 19 CONECT 58 24 CONECT 59 26 CONECT 60 28 CONECT 61 29 CONECT 62 29 CONECT 63 30 CONECT 64 30 CONECT 65 32 CONECT 66 32 CONECT 67 33 CONECT 68 33 CONECT 69 35 CONECT 70 38 CONECT 71 39 CONECT 72 40 CONECT 73 40 CONECT 74 41 CONECT 75 41 CONECT 76 42 CONECT 77 42 CONECT 78 44 CONECT 79 44 CONECT 80 46 CONECT 81 47 CONECT 82 47 MASTER 0 0 0 0 0 0 0 0 82 0 82 0 END M END $$$$