D0F1FD AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.804 0.658 1.351 1.00 0.00 C HETATM 2 C UNL 1 0.612 1.175 2.730 1.00 0.00 C HETATM 3 C UNL 1 -0.346 0.741 3.591 1.00 0.00 C HETATM 4 C UNL 1 -1.162 -0.358 3.241 1.00 0.00 C HETATM 5 N UNL 1 -1.230 -0.677 1.870 1.00 0.00 N HETATM 6 C UNL 1 -0.200 -0.203 0.971 1.00 0.00 C HETATM 7 N UNL 1 -1.454 -1.455 3.943 1.00 0.00 N HETATM 8 C UNL 1 -1.212 -2.415 2.980 1.00 0.00 C HETATM 9 C UNL 1 -1.986 -1.906 1.899 1.00 0.00 C HETATM 10 N UNL 1 1.998 1.025 0.552 1.00 0.00 N HETATM 11 C UNL 1 0.234 -2.924 3.046 1.00 0.00 C HETATM 12 C UNL 1 0.854 -3.616 1.850 1.00 0.00 C HETATM 13 N UNL 1 -3.442 -2.034 1.801 1.00 0.00 N HETATM 14 C UNL 1 -4.092 -2.813 2.899 1.00 0.00 C HETATM 15 C UNL 1 -4.393 -1.343 1.045 1.00 0.00 C HETATM 16 S UNL 1 -3.954 -0.042 0.001 1.00 0.00 S HETATM 17 C UNL 1 -5.548 0.573 0.190 1.00 0.00 C HETATM 18 C UNL 1 -6.419 -0.486 0.364 1.00 0.00 C HETATM 19 N UNL 1 -5.721 -1.558 0.992 1.00 0.00 N HETATM 20 C UNL 1 -7.881 -0.485 0.004 1.00 0.00 C HETATM 21 C UNL 1 -8.378 0.317 -1.057 1.00 0.00 C HETATM 22 C UNL 1 -9.704 0.209 -1.541 1.00 0.00 C HETATM 23 C UNL 1 -10.561 -0.716 -0.969 1.00 0.00 C HETATM 24 C UNL 1 -10.126 -1.487 0.109 1.00 0.00 C HETATM 25 C UNL 1 -8.806 -1.362 0.599 1.00 0.00 C HETATM 26 F UNL 1 -11.793 -0.891 -1.468 1.00 0.00 F HETATM 27 F UNL 1 -0.407 1.193 4.849 1.00 0.00 F HETATM 28 C UNL 1 3.015 2.093 0.910 1.00 0.00 C HETATM 29 C UNL 1 4.377 2.142 0.019 1.00 0.00 C HETATM 30 N UNL 1 4.246 2.022 -1.448 1.00 0.00 N HETATM 31 C UNL 1 3.285 0.967 -1.765 1.00 0.00 C HETATM 32 C UNL 1 1.952 0.843 -0.932 1.00 0.00 C HETATM 33 C UNL 1 5.497 2.095 -2.347 1.00 0.00 C HETATM 34 C UNL 1 6.370 0.808 -2.706 1.00 0.00 C HETATM 35 O UNL 1 6.117 -0.312 -2.265 1.00 0.00 O HETATM 36 N UNL 1 7.525 1.020 -3.508 1.00 0.00 N HETATM 37 C UNL 1 8.570 -0.035 -3.748 1.00 0.00 C HETATM 38 C UNL 1 9.019 0.816 -4.955 1.00 0.00 C HETATM 39 C UNL 1 7.547 1.310 -4.970 1.00 0.00 C HETATM 40 O UNL 1 9.551 0.135 -6.120 1.00 0.00 O HETATM 41 C UNL 1 -5.776 1.965 0.284 1.00 0.00 C HETATM 42 N UNL 1 -5.840 3.107 0.475 1.00 0.00 N HETATM 43 H UNL 1 1.285 1.937 3.110 1.00 0.00 H HETATM 44 H UNL 1 -0.202 -0.700 0.012 1.00 0.00 H HETATM 45 H UNL 1 0.329 -3.560 3.928 1.00 0.00 H HETATM 46 H UNL 1 0.875 -2.052 3.251 1.00 0.00 H HETATM 47 H UNL 1 0.487 -4.639 1.743 1.00 0.00 H HETATM 48 H UNL 1 1.940 -3.677 2.009 1.00 0.00 H HETATM 49 H UNL 1 0.699 -3.078 0.912 1.00 0.00 H HETATM 50 H UNL 1 -3.451 -3.605 3.300 1.00 0.00 H HETATM 51 H UNL 1 -5.007 -3.323 2.569 1.00 0.00 H HETATM 52 H UNL 1 -4.368 -2.146 3.728 1.00 0.00 H HETATM 53 H UNL 1 -7.749 1.033 -1.573 1.00 0.00 H HETATM 54 H UNL 1 -10.045 0.815 -2.382 1.00 0.00 H HETATM 55 H UNL 1 -10.819 -2.210 0.538 1.00 0.00 H HETATM 56 H UNL 1 -8.520 -1.976 1.450 1.00 0.00 H HETATM 57 H UNL 1 3.326 1.976 1.956 1.00 0.00 H HETATM 58 H UNL 1 2.521 3.070 0.825 1.00 0.00 H HETATM 59 H UNL 1 5.066 1.380 0.398 1.00 0.00 H HETATM 60 H UNL 1 4.845 3.115 0.236 1.00 0.00 H HETATM 61 H UNL 1 3.781 -0.003 -1.722 1.00 0.00 H HETATM 62 H UNL 1 2.969 1.129 -2.804 1.00 0.00 H HETATM 63 H UNL 1 1.223 1.563 -1.318 1.00 0.00 H HETATM 64 H UNL 1 1.582 -0.166 -1.134 1.00 0.00 H HETATM 65 H UNL 1 6.185 2.850 -1.942 1.00 0.00 H HETATM 66 H UNL 1 5.153 2.482 -3.316 1.00 0.00 H HETATM 67 H UNL 1 8.172 -1.021 -4.011 1.00 0.00 H HETATM 68 H UNL 1 9.328 -0.121 -2.965 1.00 0.00 H HETATM 69 H UNL 1 9.737 1.598 -4.670 1.00 0.00 H HETATM 70 H UNL 1 6.872 0.675 -5.554 1.00 0.00 H HETATM 71 H UNL 1 7.437 2.360 -5.243 1.00 0.00 H HETATM 72 H UNL 1 8.810 -0.307 -6.566 1.00 0.00 H CONECT 1 2 6 10 CONECT 2 1 3 43 CONECT 3 2 4 27 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 44 CONECT 7 4 8 CONECT 8 7 9 11 CONECT 9 8 5 13 CONECT 10 1 28 32 CONECT 11 8 12 45 46 CONECT 12 11 47 48 49 CONECT 13 9 14 15 CONECT 14 13 50 51 52 CONECT 15 13 16 19 CONECT 16 15 17 CONECT 17 16 18 41 CONECT 18 17 19 20 CONECT 19 18 15 CONECT 20 18 21 25 CONECT 21 20 22 53 CONECT 22 21 23 54 CONECT 23 22 24 26 CONECT 24 23 25 55 CONECT 25 24 20 56 CONECT 26 23 CONECT 27 3 CONECT 28 10 29 57 58 CONECT 29 28 30 59 60 CONECT 30 29 31 33 CONECT 31 30 32 61 62 CONECT 32 31 10 63 64 CONECT 33 30 34 65 66 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 39 CONECT 37 36 38 67 68 CONECT 38 37 39 40 69 CONECT 39 38 36 70 71 CONECT 40 38 72 CONECT 41 17 42 CONECT 42 41 CONECT 43 2 CONECT 44 6 CONECT 45 11 CONECT 46 11 CONECT 47 12 CONECT 48 12 CONECT 49 12 CONECT 50 14 CONECT 51 14 CONECT 52 14 CONECT 53 21 CONECT 54 22 CONECT 55 24 CONECT 56 25 CONECT 57 28 CONECT 58 28 CONECT 59 29 CONECT 60 29 CONECT 61 31 CONECT 62 31 CONECT 63 32 CONECT 64 32 CONECT 65 33 CONECT 66 33 CONECT 67 37 CONECT 68 37 CONECT 69 38 CONECT 70 39 CONECT 71 39 CONECT 72 40 MASTER 0 0 0 0 0 0 0 0 72 0 72 0 END M END $$$$