D0KT1Q AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.600 2.587 -0.953 1.00 0.00 C HETATM 2 C UNL 1 -0.023 3.798 -0.672 1.00 0.00 C HETATM 3 C UNL 1 -1.381 3.993 -1.008 1.00 0.00 C HETATM 4 C UNL 1 -2.113 2.980 -1.624 1.00 0.00 C HETATM 5 C UNL 1 -1.489 1.728 -1.802 1.00 0.00 C HETATM 6 C UNL 1 -0.133 1.552 -1.496 1.00 0.00 C HETATM 7 C UNL 1 -3.407 3.174 -2.345 1.00 0.00 C HETATM 8 N UNL 1 -4.041 4.442 -2.632 1.00 0.00 N HETATM 9 N UNL 1 -3.209 5.017 -3.602 1.00 0.00 N HETATM 10 C UNL 1 -2.767 3.903 -4.251 1.00 0.00 C HETATM 11 C UNL 1 -3.502 2.770 -3.710 1.00 0.00 C HETATM 12 C UNL 1 -5.508 4.571 -2.561 1.00 0.00 C HETATM 13 N UNL 1 -6.111 3.706 -1.678 1.00 0.00 N HETATM 14 C UNL 1 -7.433 3.423 -1.826 1.00 0.00 C HETATM 15 C UNL 1 -8.215 3.953 -2.829 1.00 0.00 C HETATM 16 C UNL 1 -7.619 4.881 -3.682 1.00 0.00 C HETATM 17 C UNL 1 -6.258 5.230 -3.542 1.00 0.00 C HETATM 18 C UNL 1 -1.529 3.797 -5.068 1.00 0.00 C HETATM 19 O UNL 1 -1.267 2.708 -5.572 1.00 0.00 O HETATM 20 N UNL 1 -0.712 4.921 -5.109 1.00 0.00 N HETATM 21 C UNL 1 0.569 5.035 -5.729 1.00 0.00 C HETATM 22 CL UNL 1 2.279 2.379 -0.673 1.00 0.00 Cl HETATM 23 CL UNL 1 -5.651 6.361 -4.691 1.00 0.00 Cl HETATM 24 C UNL 1 -4.748 2.146 -4.308 1.00 0.00 C HETATM 25 C UNL 1 -4.616 0.932 -5.185 1.00 0.00 C HETATM 26 O UNL 1 -3.376 0.648 -5.624 1.00 0.00 O HETATM 27 O UNL 1 -5.590 0.268 -5.504 1.00 0.00 O HETATM 28 C UNL 1 1.237 4.026 -6.421 1.00 0.00 C HETATM 29 N UNL 1 2.458 4.166 -7.016 1.00 0.00 N HETATM 30 C UNL 1 3.115 5.321 -6.799 1.00 0.00 C HETATM 31 C UNL 1 2.595 6.342 -6.029 1.00 0.00 C HETATM 32 C UNL 1 1.263 6.244 -5.610 1.00 0.00 C HETATM 33 H UNL 1 0.556 4.610 -0.243 1.00 0.00 H HETATM 34 H UNL 1 -1.809 4.987 -0.845 1.00 0.00 H HETATM 35 H UNL 1 -2.024 0.909 -2.269 1.00 0.00 H HETATM 36 H UNL 1 0.333 0.599 -1.740 1.00 0.00 H HETATM 37 H UNL 1 -7.845 2.709 -1.119 1.00 0.00 H HETATM 38 H UNL 1 -9.251 3.645 -2.963 1.00 0.00 H HETATM 39 H UNL 1 -8.214 5.300 -4.495 1.00 0.00 H HETATM 40 H UNL 1 -1.038 5.713 -4.562 1.00 0.00 H HETATM 41 H UNL 1 -5.288 2.895 -4.887 1.00 0.00 H HETATM 42 H UNL 1 -5.375 1.813 -3.469 1.00 0.00 H HETATM 43 H UNL 1 -2.639 1.263 -5.401 1.00 0.00 H HETATM 44 H UNL 1 0.835 3.024 -6.527 1.00 0.00 H HETATM 45 H UNL 1 4.089 5.412 -7.275 1.00 0.00 H HETATM 46 H UNL 1 3.211 7.195 -5.761 1.00 0.00 H HETATM 47 H UNL 1 0.788 7.128 -5.196 1.00 0.00 H CONECT 1 2 6 22 CONECT 2 1 3 33 CONECT 3 2 4 34 CONECT 4 3 5 7 CONECT 5 4 6 35 CONECT 6 5 1 36 CONECT 7 4 8 11 CONECT 8 7 9 12 CONECT 9 8 10 CONECT 10 9 11 18 CONECT 11 10 7 24 CONECT 12 8 13 17 CONECT 13 12 14 CONECT 14 13 15 37 CONECT 15 14 16 38 CONECT 16 15 17 39 CONECT 17 16 12 23 CONECT 18 10 19 20 CONECT 19 18 CONECT 20 18 21 40 CONECT 21 20 28 32 CONECT 22 1 CONECT 23 17 CONECT 24 11 25 41 42 CONECT 25 24 26 27 CONECT 26 25 43 CONECT 27 25 CONECT 28 21 29 44 CONECT 29 28 30 CONECT 30 29 31 45 CONECT 31 30 32 46 CONECT 32 31 21 47 CONECT 33 2 CONECT 34 3 CONECT 35 5 CONECT 36 6 CONECT 37 14 CONECT 38 15 CONECT 39 16 CONECT 40 20 CONECT 41 24 CONECT 42 24 CONECT 43 26 CONECT 44 28 CONECT 45 30 CONECT 46 31 CONECT 47 32 MASTER 0 0 0 0 0 0 0 0 47 0 47 0 END M END $$$$