D0NB1V AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 4.034 0.511 -0.930 1.00 0.00 C HETATM 2 C UNL 1 3.264 0.921 0.101 1.00 0.00 C HETATM 3 C UNL 1 3.187 0.023 1.190 1.00 0.00 C HETATM 4 C UNL 1 3.578 -1.355 1.031 1.00 0.00 C HETATM 5 C UNL 1 3.813 -1.784 -0.277 1.00 0.00 C HETATM 6 C UNL 1 4.034 -0.852 -1.274 1.00 0.00 C HETATM 7 C UNL 1 3.956 -2.367 2.149 1.00 0.00 C HETATM 8 N UNL 1 3.446 -3.786 1.907 1.00 0.00 N HETATM 9 C UNL 1 2.120 -4.281 2.042 1.00 0.00 C HETATM 10 C UNL 1 1.153 -3.444 2.586 1.00 0.00 C HETATM 11 N UNL 1 -0.144 -3.803 2.802 1.00 0.00 N HETATM 12 C UNL 1 -0.511 -5.059 2.397 1.00 0.00 C HETATM 13 C UNL 1 0.338 -5.982 1.808 1.00 0.00 C HETATM 14 N UNL 1 1.706 -5.578 1.652 1.00 0.00 N HETATM 15 C UNL 1 -0.197 -7.393 1.275 1.00 0.00 C HETATM 16 N UNL 1 2.594 2.196 0.029 1.00 0.00 N HETATM 17 C UNL 1 2.303 3.108 -1.037 1.00 0.00 C HETATM 18 C UNL 1 2.571 2.856 -2.524 1.00 0.00 C HETATM 19 O UNL 1 1.749 4.169 -0.742 1.00 0.00 O HETATM 20 C UNL 1 2.773 3.939 -3.401 1.00 0.00 C HETATM 21 C UNL 1 2.868 3.732 -4.806 1.00 0.00 C HETATM 22 C UNL 1 2.948 2.447 -5.329 1.00 0.00 C HETATM 23 C UNL 1 2.730 1.373 -4.481 1.00 0.00 C HETATM 24 C UNL 1 2.455 1.611 -3.114 1.00 0.00 C HETATM 25 C UNL 1 2.752 4.873 -5.797 1.00 0.00 C HETATM 26 C UNL 1 5.529 -2.341 2.193 1.00 0.00 C HETATM 27 C UNL 1 -1.573 -7.967 1.251 1.00 0.00 C HETATM 28 C UNL 1 -1.956 -9.213 0.556 1.00 0.00 C HETATM 29 C UNL 1 -0.920 -9.792 -0.135 1.00 0.00 C HETATM 30 C UNL 1 0.379 -9.559 0.300 1.00 0.00 C HETATM 31 C UNL 1 0.752 -8.299 0.806 1.00 0.00 C HETATM 32 N UNL 1 -3.229 -9.867 0.554 1.00 0.00 N HETATM 33 C UNL 1 -3.644 -10.907 -0.512 1.00 0.00 C HETATM 34 C UNL 1 -3.544 -12.438 -0.151 1.00 0.00 C HETATM 35 O UNL 1 -3.671 -12.772 1.233 1.00 0.00 O HETATM 36 C UNL 1 -2.935 -11.842 2.032 1.00 0.00 C HETATM 37 C UNL 1 -3.576 -10.443 1.874 1.00 0.00 C HETATM 38 H UNL 1 4.725 1.171 -1.445 1.00 0.00 H HETATM 39 H UNL 1 2.883 0.393 2.171 1.00 0.00 H HETATM 40 H UNL 1 3.982 -2.834 -0.493 1.00 0.00 H HETATM 41 H UNL 1 4.284 -1.174 -2.280 1.00 0.00 H HETATM 42 H UNL 1 3.624 -2.008 3.130 1.00 0.00 H HETATM 43 H UNL 1 4.139 -4.499 1.699 1.00 0.00 H HETATM 44 H UNL 1 1.397 -2.442 2.911 1.00 0.00 H HETATM 45 H UNL 1 -1.552 -5.282 2.590 1.00 0.00 H HETATM 46 H UNL 1 2.111 2.482 0.879 1.00 0.00 H HETATM 47 H UNL 1 2.803 4.960 -3.011 1.00 0.00 H HETATM 48 H UNL 1 3.090 2.280 -6.386 1.00 0.00 H HETATM 49 H UNL 1 2.724 0.366 -4.882 1.00 0.00 H HETATM 50 H UNL 1 2.110 0.747 -2.549 1.00 0.00 H HETATM 51 H UNL 1 3.696 5.090 -6.303 1.00 0.00 H HETATM 52 H UNL 1 2.368 5.786 -5.326 1.00 0.00 H HETATM 53 H UNL 1 2.012 4.596 -6.568 1.00 0.00 H HETATM 54 H UNL 1 5.985 -2.695 1.257 1.00 0.00 H HETATM 55 H UNL 1 5.947 -2.951 3.001 1.00 0.00 H HETATM 56 H UNL 1 5.911 -1.316 2.340 1.00 0.00 H HETATM 57 H UNL 1 -2.383 -7.424 1.746 1.00 0.00 H HETATM 58 H UNL 1 -1.088 -10.041 -1.184 1.00 0.00 H HETATM 59 H UNL 1 0.732 -10.359 0.985 1.00 0.00 H HETATM 60 H UNL 1 1.813 -8.099 0.936 1.00 0.00 H HETATM 61 H UNL 1 -3.168 -10.742 -1.484 1.00 0.00 H HETATM 62 H UNL 1 -4.717 -10.740 -0.689 1.00 0.00 H HETATM 63 H UNL 1 -2.617 -12.887 -0.528 1.00 0.00 H HETATM 64 H UNL 1 -4.352 -12.989 -0.660 1.00 0.00 H HETATM 65 H UNL 1 -1.885 -11.866 1.720 1.00 0.00 H HETATM 66 H UNL 1 -2.987 -12.188 3.068 1.00 0.00 H HETATM 67 H UNL 1 -3.302 -9.786 2.704 1.00 0.00 H HETATM 68 H UNL 1 -4.671 -10.580 1.910 1.00 0.00 H CONECT 1 2 6 38 CONECT 2 1 3 16 CONECT 3 2 4 39 CONECT 4 3 5 7 CONECT 5 4 6 40 CONECT 6 5 1 41 CONECT 7 4 8 26 42 CONECT 8 7 9 43 CONECT 9 8 10 14 CONECT 10 9 11 44 CONECT 11 10 12 CONECT 12 11 13 45 CONECT 13 12 14 15 CONECT 14 13 9 CONECT 15 13 27 31 CONECT 16 2 17 46 CONECT 17 16 18 19 CONECT 18 17 20 24 CONECT 19 17 CONECT 20 18 21 47 CONECT 21 20 22 25 CONECT 22 21 23 48 CONECT 23 22 24 49 CONECT 24 23 18 50 CONECT 25 21 51 52 53 CONECT 26 7 54 55 56 CONECT 27 15 28 57 CONECT 28 27 29 32 CONECT 29 28 30 58 CONECT 30 29 31 59 CONECT 31 30 15 60 CONECT 32 28 33 37 CONECT 33 32 34 61 62 CONECT 34 33 35 63 64 CONECT 35 34 36 CONECT 36 35 37 65 66 CONECT 37 36 32 67 68 CONECT 38 1 CONECT 39 3 CONECT 40 5 CONECT 41 6 CONECT 42 7 CONECT 43 8 CONECT 44 10 CONECT 45 12 CONECT 46 16 CONECT 47 20 CONECT 48 22 CONECT 49 23 CONECT 50 24 CONECT 51 25 CONECT 52 25 CONECT 53 25 CONECT 54 26 CONECT 55 26 CONECT 56 26 CONECT 57 27 CONECT 58 29 CONECT 59 30 CONECT 60 31 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 M END $$$$