D0CS9R AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.466 0.920 -2.803 1.00 0.00 C HETATM 2 C UNL 1 -0.572 0.651 -3.942 1.00 0.00 C HETATM 3 C UNL 1 -0.889 1.885 -4.803 1.00 0.00 C HETATM 4 C UNL 1 -0.832 3.123 -3.908 1.00 0.00 C HETATM 5 C UNL 1 -1.065 2.873 -2.436 1.00 0.00 C HETATM 6 C UNL 1 0.182 2.213 -1.948 1.00 0.00 C HETATM 7 N UNL 1 1.268 3.210 -1.804 1.00 0.00 N HETATM 8 C UNL 1 1.742 4.444 -2.223 1.00 0.00 C HETATM 9 N UNL 1 1.160 5.483 -2.940 1.00 0.00 N HETATM 10 C UNL 1 1.984 6.550 -3.337 1.00 0.00 C HETATM 11 C UNL 1 3.346 6.491 -3.096 1.00 0.00 C HETATM 12 C UNL 1 3.775 5.523 -2.232 1.00 0.00 C HETATM 13 N UNL 1 2.998 4.540 -1.769 1.00 0.00 N HETATM 14 N UNL 1 1.586 7.756 -4.150 1.00 0.00 N HETATM 15 C UNL 1 0.825 8.940 -3.833 1.00 0.00 C HETATM 16 C UNL 1 0.920 9.846 -4.942 1.00 0.00 C HETATM 17 C UNL 1 1.982 9.371 -5.734 1.00 0.00 C HETATM 18 C UNL 1 2.356 8.159 -5.254 1.00 0.00 C HETATM 19 C UNL 1 0.223 9.418 -2.648 1.00 0.00 C HETATM 20 C UNL 1 -0.337 10.727 -2.646 1.00 0.00 C HETATM 21 C UNL 1 -0.385 11.535 -3.797 1.00 0.00 C HETATM 22 C UNL 1 0.212 11.105 -4.980 1.00 0.00 C HETATM 23 O UNL 1 0.544 12.118 -5.877 1.00 0.00 O HETATM 24 C UNL 1 0.024 2.062 -6.052 1.00 0.00 C HETATM 25 O UNL 1 0.931 1.285 -6.317 1.00 0.00 O HETATM 26 N UNL 1 -0.258 3.155 -6.931 1.00 0.00 N HETATM 27 C UNL 1 0.712 3.398 -7.997 1.00 0.00 C HETATM 28 C UNL 1 0.207 4.352 -9.075 1.00 0.00 C HETATM 29 C UNL 1 -0.439 5.627 -8.546 1.00 0.00 C HETATM 30 C UNL 1 -1.429 5.386 -7.416 1.00 0.00 C HETATM 31 C UNL 1 -1.014 4.284 -6.467 1.00 0.00 C HETATM 32 C UNL 1 -1.257 6.261 -9.671 1.00 0.00 C HETATM 33 O UNL 1 -2.398 6.687 -9.548 1.00 0.00 O HETATM 34 O UNL 1 -0.583 6.337 -10.841 1.00 0.00 O HETATM 35 C UNL 1 -0.007 12.260 -7.202 1.00 0.00 C HETATM 36 C UNL 1 0.454 11.241 -8.245 1.00 0.00 C HETATM 37 C UNL 1 -0.403 9.976 -8.306 1.00 0.00 C HETATM 38 S UNL 1 -0.018 9.259 -9.902 1.00 0.00 S HETATM 39 C UNL 1 0.909 10.622 -10.550 1.00 0.00 C HETATM 40 C UNL 1 0.427 11.785 -9.702 1.00 0.00 C HETATM 41 O UNL 1 -1.221 9.195 -10.700 1.00 0.00 O HETATM 42 O UNL 1 0.905 8.146 -9.767 1.00 0.00 O HETATM 43 H UNL 1 1.483 0.871 -3.200 1.00 0.00 H HETATM 44 H UNL 1 0.372 0.043 -2.133 1.00 0.00 H HETATM 45 H UNL 1 -1.520 0.355 -3.457 1.00 0.00 H HETATM 46 H UNL 1 -0.301 -0.229 -4.542 1.00 0.00 H HETATM 47 H UNL 1 -1.897 1.754 -5.211 1.00 0.00 H HETATM 48 H UNL 1 -1.571 3.880 -4.161 1.00 0.00 H HETATM 49 H UNL 1 0.157 3.549 -4.060 1.00 0.00 H HETATM 50 H UNL 1 -1.949 2.245 -2.269 1.00 0.00 H HETATM 51 H UNL 1 -1.228 3.812 -1.900 1.00 0.00 H HETATM 52 H UNL 1 0.000 1.837 -0.931 1.00 0.00 H HETATM 53 H UNL 1 1.677 3.142 -0.874 1.00 0.00 H HETATM 54 H UNL 1 4.064 7.194 -3.496 1.00 0.00 H HETATM 55 H UNL 1 4.798 5.514 -1.868 1.00 0.00 H HETATM 56 H UNL 1 2.478 9.928 -6.514 1.00 0.00 H HETATM 57 H UNL 1 3.180 7.533 -5.589 1.00 0.00 H HETATM 58 H UNL 1 0.286 8.859 -1.714 1.00 0.00 H HETATM 59 H UNL 1 -0.672 11.152 -1.694 1.00 0.00 H HETATM 60 H UNL 1 -0.781 12.544 -3.713 1.00 0.00 H HETATM 61 H UNL 1 0.974 2.448 -8.479 1.00 0.00 H HETATM 62 H UNL 1 1.624 3.801 -7.534 1.00 0.00 H HETATM 63 H UNL 1 -0.516 3.827 -9.708 1.00 0.00 H HETATM 64 H UNL 1 1.053 4.616 -9.730 1.00 0.00 H HETATM 65 H UNL 1 0.331 6.330 -8.201 1.00 0.00 H HETATM 66 H UNL 1 -2.416 5.140 -7.785 1.00 0.00 H HETATM 67 H UNL 1 -1.538 6.325 -6.830 1.00 0.00 H HETATM 68 H UNL 1 -0.401 4.786 -5.713 1.00 0.00 H HETATM 69 H UNL 1 -1.958 3.935 -6.021 1.00 0.00 H HETATM 70 H UNL 1 0.364 6.527 -10.654 1.00 0.00 H HETATM 71 H UNL 1 0.425 13.215 -7.537 1.00 0.00 H HETATM 72 H UNL 1 -1.088 12.432 -7.214 1.00 0.00 H HETATM 73 H UNL 1 1.485 10.956 -8.026 1.00 0.00 H HETATM 74 H UNL 1 -1.473 10.197 -8.291 1.00 0.00 H HETATM 75 H UNL 1 -0.168 9.249 -7.533 1.00 0.00 H HETATM 76 H UNL 1 0.728 10.709 -11.622 1.00 0.00 H HETATM 77 H UNL 1 1.968 10.400 -10.364 1.00 0.00 H HETATM 78 H UNL 1 -0.601 12.040 -9.995 1.00 0.00 H HETATM 79 H UNL 1 1.064 12.661 -9.853 1.00 0.00 H CONECT 1 2 6 43 44 CONECT 2 1 3 45 46 CONECT 3 2 4 24 47 CONECT 4 3 5 48 49 CONECT 5 4 6 50 51 CONECT 6 5 1 7 52 CONECT 7 8 6 53 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 14 CONECT 11 10 12 54 CONECT 12 11 13 55 CONECT 13 12 8 CONECT 14 10 15 18 CONECT 15 14 16 19 CONECT 16 15 17 22 CONECT 17 16 18 56 CONECT 18 17 14 57 CONECT 19 15 20 58 CONECT 20 19 21 59 CONECT 21 20 22 60 CONECT 22 21 16 23 CONECT 23 22 35 CONECT 24 3 25 26 CONECT 25 24 CONECT 26 24 27 31 CONECT 27 26 28 61 62 CONECT 28 27 29 63 64 CONECT 29 28 30 32 65 CONECT 30 29 31 66 67 CONECT 31 30 26 68 69 CONECT 32 29 33 34 CONECT 33 32 CONECT 34 32 70 CONECT 35 23 36 71 72 CONECT 36 35 37 40 73 CONECT 37 36 38 74 75 CONECT 38 37 39 41 42 CONECT 39 38 40 76 77 CONECT 40 39 36 78 79 CONECT 41 38 CONECT 42 38 CONECT 43 1 CONECT 44 1 CONECT 45 2 CONECT 46 2 CONECT 47 3 CONECT 48 4 CONECT 49 4 CONECT 50 5 CONECT 51 5 CONECT 52 6 CONECT 53 7 CONECT 54 11 CONECT 55 12 CONECT 56 17 CONECT 57 18 CONECT 58 19 CONECT 59 20 CONECT 60 21 CONECT 61 27 CONECT 62 27 CONECT 63 28 CONECT 64 28 CONECT 65 29 CONECT 66 30 CONECT 67 30 CONECT 68 31 CONECT 69 31 CONECT 70 34 CONECT 71 35 CONECT 72 35 CONECT 73 36 CONECT 74 37 CONECT 75 37 CONECT 76 39 CONECT 77 39 CONECT 78 40 CONECT 79 40 MASTER 0 0 0 0 0 0 0 0 79 0 79 0 END M END $$$$