D0OH5L AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.067 0.916 2.592 1.00 0.00 C HETATM 2 C UNL 1 0.813 -0.432 2.448 1.00 0.00 C HETATM 3 S UNL 1 2.186 -1.211 1.838 1.00 0.00 S HETATM 4 C UNL 1 3.020 0.297 1.768 1.00 0.00 C HETATM 5 N UNL 1 2.319 1.359 2.193 1.00 0.00 N HETATM 6 C UNL 1 4.365 0.300 1.253 1.00 0.00 C HETATM 7 O UNL 1 4.979 -0.737 0.966 1.00 0.00 O HETATM 8 N UNL 1 5.036 1.524 1.064 1.00 0.00 N HETATM 9 C UNL 1 6.467 1.523 0.677 1.00 0.00 C HETATM 10 C UNL 1 6.750 1.406 -0.840 1.00 0.00 C HETATM 11 C UNL 1 5.794 0.930 -1.738 1.00 0.00 C HETATM 12 C UNL 1 6.194 0.145 -2.843 1.00 0.00 C HETATM 13 C UNL 1 7.405 0.455 -3.477 1.00 0.00 C HETATM 14 N UNL 1 8.338 1.090 -2.712 1.00 0.00 N HETATM 15 C UNL 1 8.034 1.396 -1.389 1.00 0.00 C HETATM 16 H UNL 1 -0.106 -0.982 2.663 1.00 0.00 H HETATM 17 CL UNL 1 6.031 -1.596 -2.518 1.00 0.00 Cl HETATM 18 N UNL 1 7.175 0.994 -4.829 1.00 0.00 N HETATM 19 C UNL 1 7.913 1.094 -6.059 1.00 0.00 C HETATM 20 C UNL 1 7.984 0.169 -7.093 1.00 0.00 C HETATM 21 N UNL 1 8.453 0.440 -8.385 1.00 0.00 N HETATM 22 C UNL 1 8.863 1.710 -8.645 1.00 0.00 C HETATM 23 C UNL 1 8.830 2.692 -7.672 1.00 0.00 C HETATM 24 C UNL 1 8.292 2.394 -6.435 1.00 0.00 C HETATM 25 C UNL 1 9.269 2.142 -10.029 1.00 0.00 C HETATM 26 C UNL 1 6.337 4.692 1.591 1.00 0.00 C HETATM 27 C UNL 1 7.133 3.757 2.101 1.00 0.00 C HETATM 28 C UNL 1 7.348 2.322 1.681 1.00 0.00 C HETATM 29 H UNL 1 0.353 1.635 2.987 1.00 0.00 H HETATM 30 H UNL 1 4.592 2.359 1.430 1.00 0.00 H HETATM 31 H UNL 1 6.793 0.511 0.961 1.00 0.00 H HETATM 32 H UNL 1 4.727 1.079 -1.572 1.00 0.00 H HETATM 33 H UNL 1 8.903 1.631 -0.787 1.00 0.00 H HETATM 34 H UNL 1 7.335 1.943 -4.462 1.00 0.00 H HETATM 35 H UNL 1 7.577 -0.849 -7.000 1.00 0.00 H HETATM 36 H UNL 1 9.145 3.705 -7.895 1.00 0.00 H HETATM 37 H UNL 1 8.075 3.242 -5.773 1.00 0.00 H HETATM 38 H UNL 1 8.990 1.430 -10.803 1.00 0.00 H HETATM 39 H UNL 1 10.350 2.328 -10.077 1.00 0.00 H HETATM 40 H UNL 1 8.770 3.096 -10.277 1.00 0.00 H HETATM 41 H UNL 1 6.304 5.681 2.048 1.00 0.00 H HETATM 42 H UNL 1 5.711 4.532 0.724 1.00 0.00 H HETATM 43 H UNL 1 7.720 4.041 2.984 1.00 0.00 H HETATM 44 H UNL 1 8.403 2.225 1.400 1.00 0.00 H HETATM 45 H UNL 1 7.257 1.779 2.636 1.00 0.00 H CONECT 1 2 5 29 CONECT 2 1 3 16 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 1 CONECT 6 4 7 8 CONECT 7 6 CONECT 8 6 9 30 CONECT 9 8 10 28 31 CONECT 10 9 11 15 CONECT 11 10 12 32 CONECT 12 11 13 17 CONECT 13 12 14 18 CONECT 14 13 15 CONECT 15 14 10 33 CONECT 16 2 CONECT 17 12 CONECT 18 13 19 34 CONECT 19 18 20 24 CONECT 20 19 21 35 CONECT 21 20 22 CONECT 22 21 23 25 CONECT 23 22 24 36 CONECT 24 23 19 37 CONECT 25 22 38 39 40 CONECT 26 27 41 42 CONECT 27 26 28 43 CONECT 28 9 27 44 45 CONECT 29 1 CONECT 30 8 CONECT 31 9 CONECT 32 11 CONECT 33 15 CONECT 34 18 CONECT 35 20 CONECT 36 23 CONECT 37 24 CONECT 38 25 CONECT 39 25 CONECT 40 25 CONECT 41 26 CONECT 42 26 CONECT 43 27 CONECT 44 28 CONECT 45 28 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$