D0JR7X AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 5.863 0.408 -3.280 1.00 0.00 N HETATM 2 C UNL 1 4.792 0.669 -2.509 1.00 0.00 C HETATM 3 C UNL 1 4.987 0.509 -1.113 1.00 0.00 C HETATM 4 C UNL 1 6.122 -0.137 -0.567 1.00 0.00 C HETATM 5 N UNL 1 7.208 -0.343 -1.362 1.00 0.00 N HETATM 6 C UNL 1 6.997 -0.014 -2.663 1.00 0.00 C HETATM 7 S UNL 1 3.891 0.901 0.145 1.00 0.00 S HETATM 8 C UNL 1 4.468 -0.453 0.989 1.00 0.00 C HETATM 9 C UNL 1 5.823 -0.721 0.766 1.00 0.00 C HETATM 10 N UNL 1 3.492 0.965 -3.009 1.00 0.00 N HETATM 11 C UNL 1 3.049 1.032 -4.411 1.00 0.00 C HETATM 12 C UNL 1 6.407 -1.846 1.592 1.00 0.00 C HETATM 13 O UNL 1 5.670 -2.823 1.746 1.00 0.00 O HETATM 14 N UNL 1 7.634 -1.768 2.304 1.00 0.00 N HETATM 15 C UNL 1 7.977 -2.701 3.392 1.00 0.00 C HETATM 16 C UNL 1 6.993 -3.567 3.893 1.00 0.00 C HETATM 17 C UNL 1 6.517 -3.341 5.180 1.00 0.00 C HETATM 18 C UNL 1 7.351 -2.638 6.071 1.00 0.00 C HETATM 19 C UNL 1 8.653 -2.301 5.675 1.00 0.00 C HETATM 20 C UNL 1 9.017 -2.387 4.311 1.00 0.00 C HETATM 21 C UNL 1 10.476 -2.434 3.965 1.00 0.00 C HETATM 22 C UNL 1 5.095 -3.718 5.539 1.00 0.00 C HETATM 23 N UNL 1 4.528 -4.807 4.871 1.00 0.00 N HETATM 24 O UNL 1 4.516 -3.036 6.382 1.00 0.00 O HETATM 25 C UNL 1 3.132 -5.047 4.666 1.00 0.00 C HETATM 26 C UNL 1 2.134 -4.142 4.961 1.00 0.00 C HETATM 27 N UNL 1 0.816 -4.294 4.615 1.00 0.00 N HETATM 28 C UNL 1 0.367 -5.381 3.945 1.00 0.00 C HETATM 29 C UNL 1 1.299 -6.384 3.677 1.00 0.00 C HETATM 30 C UNL 1 2.673 -6.217 4.036 1.00 0.00 C HETATM 31 N UNL 1 -1.007 -5.457 3.677 1.00 0.00 N HETATM 32 C UNL 1 -1.666 -6.183 2.558 1.00 0.00 C HETATM 33 C UNL 1 -3.270 -6.187 2.631 1.00 0.00 C HETATM 34 N UNL 1 -3.925 -4.950 3.143 1.00 0.00 N HETATM 35 C UNL 1 -3.144 -4.480 4.307 1.00 0.00 C HETATM 36 C UNL 1 -1.703 -4.198 3.910 1.00 0.00 C HETATM 37 C UNL 1 -5.324 -5.099 3.596 1.00 0.00 C HETATM 38 C UNL 1 -6.393 -5.306 2.527 1.00 0.00 C HETATM 39 C UNL 1 1.944 0.318 -5.169 1.00 0.00 C HETATM 40 C UNL 1 1.619 1.598 -4.513 1.00 0.00 C HETATM 41 H UNL 1 7.855 -0.122 -3.323 1.00 0.00 H HETATM 42 H UNL 1 3.769 -1.026 1.584 1.00 0.00 H HETATM 43 H UNL 1 3.062 1.653 -2.392 1.00 0.00 H HETATM 44 H UNL 1 3.868 1.210 -5.104 1.00 0.00 H HETATM 45 H UNL 1 8.211 -0.933 2.223 1.00 0.00 H HETATM 46 H UNL 1 7.287 -4.629 3.789 1.00 0.00 H HETATM 47 H UNL 1 7.027 -2.479 7.097 1.00 0.00 H HETATM 48 H UNL 1 9.384 -1.976 6.425 1.00 0.00 H HETATM 49 H UNL 1 11.020 -3.049 4.712 1.00 0.00 H HETATM 50 H UNL 1 10.930 -1.438 3.992 1.00 0.00 H HETATM 51 H UNL 1 10.669 -2.907 3.009 1.00 0.00 H HETATM 52 H UNL 1 5.155 -5.471 4.444 1.00 0.00 H HETATM 53 H UNL 1 2.337 -3.205 5.469 1.00 0.00 H HETATM 54 H UNL 1 0.992 -7.311 3.204 1.00 0.00 H HETATM 55 H UNL 1 3.368 -7.024 3.817 1.00 0.00 H HETATM 56 H UNL 1 -1.337 -7.256 2.551 1.00 0.00 H HETATM 57 H UNL 1 -1.356 -5.759 1.600 1.00 0.00 H HETATM 58 H UNL 1 -3.583 -7.044 3.240 1.00 0.00 H HETATM 59 H UNL 1 -3.648 -6.374 1.617 1.00 0.00 H HETATM 60 H UNL 1 -3.164 -5.235 5.105 1.00 0.00 H HETATM 61 H UNL 1 -3.584 -3.559 4.705 1.00 0.00 H HETATM 62 H UNL 1 -1.284 -3.589 4.730 1.00 0.00 H HETATM 63 H UNL 1 -1.667 -3.562 3.002 1.00 0.00 H HETATM 64 H UNL 1 -5.616 -4.157 4.090 1.00 0.00 H HETATM 65 H UNL 1 -5.418 -5.880 4.357 1.00 0.00 H HETATM 66 H UNL 1 -6.368 -4.519 1.767 1.00 0.00 H HETATM 67 H UNL 1 -7.383 -5.257 2.999 1.00 0.00 H HETATM 68 H UNL 1 -6.308 -6.283 2.046 1.00 0.00 H HETATM 69 H UNL 1 1.506 -0.599 -4.801 1.00 0.00 H HETATM 70 H UNL 1 1.914 0.382 -6.259 1.00 0.00 H HETATM 71 H UNL 1 0.942 1.498 -3.665 1.00 0.00 H HETATM 72 H UNL 1 1.436 2.485 -5.102 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 10 CONECT 3 2 4 7 CONECT 4 3 5 9 CONECT 5 4 6 CONECT 6 5 1 41 CONECT 7 3 8 CONECT 8 7 9 42 CONECT 9 8 4 12 CONECT 10 2 11 43 CONECT 11 10 39 40 44 CONECT 12 9 13 14 CONECT 13 12 CONECT 14 12 15 45 CONECT 15 14 16 20 CONECT 16 15 17 46 CONECT 17 16 18 22 CONECT 18 17 19 47 CONECT 19 18 20 48 CONECT 20 19 15 21 CONECT 21 20 49 50 51 CONECT 22 17 23 24 CONECT 23 22 25 52 CONECT 24 22 CONECT 25 23 26 30 CONECT 26 25 27 53 CONECT 27 26 28 CONECT 28 27 29 31 CONECT 29 28 30 54 CONECT 30 29 25 55 CONECT 31 28 32 36 CONECT 32 31 33 56 57 CONECT 33 32 34 58 59 CONECT 34 33 35 37 CONECT 35 34 36 60 61 CONECT 36 35 31 62 63 CONECT 37 34 38 64 65 CONECT 38 37 66 67 68 CONECT 39 11 40 69 70 CONECT 40 39 11 71 72 CONECT 41 6 CONECT 42 8 CONECT 43 10 CONECT 44 11 CONECT 45 14 CONECT 46 16 CONECT 47 18 CONECT 48 19 CONECT 49 21 CONECT 50 21 CONECT 51 21 CONECT 52 23 CONECT 53 26 CONECT 54 29 CONECT 55 30 CONECT 56 32 CONECT 57 32 CONECT 58 33 CONECT 59 33 CONECT 60 35 CONECT 61 35 CONECT 62 36 CONECT 63 36 CONECT 64 37 CONECT 65 37 CONECT 66 38 CONECT 67 38 CONECT 68 38 CONECT 69 39 CONECT 70 39 CONECT 71 40 CONECT 72 40 MASTER 0 0 0 0 0 0 0 0 72 0 72 0 END M END $$$$