D0DN3Q AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 1.642 -0.590 0.881 1.00 0.00 N HETATM 2 C UNL 1 1.790 -0.305 -0.487 1.00 0.00 C HETATM 3 C UNL 1 0.483 -0.595 -0.969 1.00 0.00 C HETATM 4 C UNL 1 0.048 -1.591 -0.054 1.00 0.00 C HETATM 5 N UNL 1 0.702 -1.547 1.094 1.00 0.00 N HETATM 6 C UNL 1 2.371 0.073 1.843 1.00 0.00 C HETATM 7 C UNL 1 3.542 0.643 1.522 1.00 0.00 C HETATM 8 C UNL 1 4.091 0.524 0.184 1.00 0.00 C HETATM 9 C UNL 1 3.150 0.221 -0.831 1.00 0.00 C HETATM 10 C UNL 1 -0.452 -0.294 -2.050 1.00 0.00 C HETATM 11 N UNL 1 5.528 0.780 0.022 1.00 0.00 N HETATM 12 C UNL 1 5.912 1.529 -1.206 1.00 0.00 C HETATM 13 C UNL 1 7.387 1.808 -1.040 1.00 0.00 C HETATM 14 C UNL 1 7.406 2.297 0.405 1.00 0.00 C HETATM 15 C UNL 1 6.643 1.164 1.146 1.00 0.00 C HETATM 16 C UNL 1 7.858 0.204 1.501 1.00 0.00 C HETATM 17 C UNL 1 8.946 0.488 2.413 1.00 0.00 C HETATM 18 C UNL 1 10.155 -0.267 2.312 1.00 0.00 C HETATM 19 C UNL 1 10.365 -1.232 1.342 1.00 0.00 C HETATM 20 C UNL 1 9.319 -1.531 0.498 1.00 0.00 C HETATM 21 C UNL 1 8.079 -0.880 0.605 1.00 0.00 C HETATM 22 O UNL 1 9.218 1.385 3.412 1.00 0.00 O HETATM 23 F UNL 1 9.527 -2.402 -0.499 1.00 0.00 F HETATM 24 C UNL 1 8.569 2.603 3.905 1.00 0.00 C HETATM 25 N UNL 1 -1.199 0.883 -1.994 1.00 0.00 N HETATM 26 O UNL 1 -0.949 -1.192 -2.726 1.00 0.00 O HETATM 27 S UNL 1 -0.707 2.462 -1.989 1.00 0.00 S HETATM 28 O UNL 1 0.448 2.561 -1.138 1.00 0.00 O HETATM 29 C UNL 1 -0.231 2.772 -3.732 1.00 0.00 C HETATM 30 O UNL 1 -1.884 3.244 -1.694 1.00 0.00 O HETATM 31 C UNL 1 -1.485 2.821 -4.617 1.00 0.00 C HETATM 32 C UNL 1 0.492 4.125 -3.796 1.00 0.00 C HETATM 33 C UNL 1 0.708 1.665 -4.221 1.00 0.00 C HETATM 34 C UNL 1 8.377 3.330 5.340 1.00 0.00 C HETATM 35 O UNL 1 8.891 4.659 5.380 1.00 0.00 O HETATM 36 C UNL 1 9.816 4.785 4.330 1.00 0.00 C HETATM 37 C UNL 1 9.833 3.461 3.608 1.00 0.00 C HETATM 38 H UNL 1 -0.791 -2.274 -0.151 1.00 0.00 H HETATM 39 H UNL 1 1.903 0.134 2.811 1.00 0.00 H HETATM 40 H UNL 1 4.062 1.239 2.260 1.00 0.00 H HETATM 41 H UNL 1 3.450 0.168 -1.862 1.00 0.00 H HETATM 42 H UNL 1 5.369 2.485 -1.221 1.00 0.00 H HETATM 43 H UNL 1 5.689 0.984 -2.127 1.00 0.00 H HETATM 44 H UNL 1 7.802 2.525 -1.748 1.00 0.00 H HETATM 45 H UNL 1 7.945 0.875 -1.181 1.00 0.00 H HETATM 46 H UNL 1 6.854 3.238 0.495 1.00 0.00 H HETATM 47 H UNL 1 8.428 2.482 0.750 1.00 0.00 H HETATM 48 H UNL 1 6.171 1.506 2.070 1.00 0.00 H HETATM 49 H UNL 1 10.988 -0.037 2.983 1.00 0.00 H HETATM 50 H UNL 1 11.331 -1.719 1.236 1.00 0.00 H HETATM 51 H UNL 1 7.325 -1.146 -0.131 1.00 0.00 H HETATM 52 H UNL 1 8.224 1.827 4.604 1.00 0.00 H HETATM 53 H UNL 1 -2.139 0.809 -2.376 1.00 0.00 H HETATM 54 H UNL 1 -2.110 3.690 -4.382 1.00 0.00 H HETATM 55 H UNL 1 -2.111 1.930 -4.491 1.00 0.00 H HETATM 56 H UNL 1 -1.218 2.891 -5.677 1.00 0.00 H HETATM 57 H UNL 1 -0.194 4.952 -3.582 1.00 0.00 H HETATM 58 H UNL 1 0.922 4.294 -4.788 1.00 0.00 H HETATM 59 H UNL 1 1.306 4.181 -3.064 1.00 0.00 H HETATM 60 H UNL 1 0.200 0.699 -4.268 1.00 0.00 H HETATM 61 H UNL 1 1.578 1.560 -3.563 1.00 0.00 H HETATM 62 H UNL 1 1.066 1.869 -5.233 1.00 0.00 H HETATM 63 H UNL 1 8.828 2.793 6.189 1.00 0.00 H HETATM 64 H UNL 1 7.301 3.440 5.531 1.00 0.00 H HETATM 65 H UNL 1 9.502 5.613 3.689 1.00 0.00 H HETATM 66 H UNL 1 10.802 5.044 4.740 1.00 0.00 H HETATM 67 H UNL 1 10.775 2.946 3.856 1.00 0.00 H HETATM 68 H UNL 1 9.898 3.660 2.531 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 9 CONECT 3 2 4 10 CONECT 4 3 5 38 CONECT 5 4 1 CONECT 6 1 7 39 CONECT 7 6 8 40 CONECT 8 7 9 11 CONECT 9 8 2 41 CONECT 10 3 25 26 CONECT 11 8 12 15 CONECT 12 11 13 42 43 CONECT 13 12 14 44 45 CONECT 14 13 15 46 47 CONECT 15 14 11 16 48 CONECT 16 17 21 15 CONECT 17 16 18 22 CONECT 18 17 19 49 CONECT 19 18 20 50 CONECT 20 19 21 23 CONECT 21 20 16 51 CONECT 22 17 24 CONECT 23 20 CONECT 24 22 34 37 52 CONECT 25 10 27 53 CONECT 26 10 CONECT 27 25 28 29 30 CONECT 28 27 CONECT 29 27 31 32 33 CONECT 30 27 CONECT 31 29 54 55 56 CONECT 32 29 57 58 59 CONECT 33 29 60 61 62 CONECT 34 24 35 63 64 CONECT 35 34 36 CONECT 36 35 37 65 66 CONECT 37 36 24 67 68 CONECT 38 4 CONECT 39 6 CONECT 40 7 CONECT 41 9 CONECT 42 12 CONECT 43 12 CONECT 44 13 CONECT 45 13 CONECT 46 14 CONECT 47 14 CONECT 48 15 CONECT 49 18 CONECT 50 19 CONECT 51 21 CONECT 52 24 CONECT 53 25 CONECT 54 31 CONECT 55 31 CONECT 56 31 CONECT 57 32 CONECT 58 32 CONECT 59 32 CONECT 60 33 CONECT 61 33 CONECT 62 33 CONECT 63 34 CONECT 64 34 CONECT 65 36 CONECT 66 36 CONECT 67 37 CONECT 68 37 MASTER 0 0 0 0 0 0 0 0 68 0 68 0 END $$$$