D0JB4S AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.265 2.170 1.207 1.00 0.00 C HETATM 2 C UNL 1 2.924 1.169 2.099 1.00 0.00 C HETATM 3 C UNL 1 2.578 0.974 3.384 1.00 0.00 C HETATM 4 C UNL 1 2.985 -0.197 4.243 1.00 0.00 C HETATM 5 C UNL 1 1.770 -0.989 4.725 1.00 0.00 C HETATM 6 C UNL 1 0.779 -1.435 3.655 1.00 0.00 C HETATM 7 N UNL 1 1.308 -1.760 2.431 1.00 0.00 N HETATM 8 CA UNL 1 0.568 -2.512 1.414 1.00 0.00 C HETATM 9 C UNL 1 0.426 -1.851 0.039 1.00 0.00 C HETATM 10 O UNL 1 1.083 -0.688 -0.128 1.00 0.00 O HETATM 11 S UNL 1 3.456 3.407 0.663 1.00 0.00 S HETATM 12 O UNL 1 3.848 -1.078 3.521 1.00 0.00 O HETATM 13 O UNL 1 -0.410 -1.592 3.928 1.00 0.00 O HETATM 14 OXT UNL 1 -0.182 -2.323 -0.912 1.00 0.00 O HETATM 15 C UNL 1 1.619 -6.945 3.541 1.00 0.00 C HETATM 16 C UNL 1 1.820 -6.077 2.312 1.00 0.00 C HETATM 17 C UNL 1 1.079 -4.753 2.465 1.00 0.00 C HETATM 18 C UNL 1 1.252 -3.873 1.229 1.00 0.00 C HETATM 19 H UNL 1 1.419 2.659 1.700 1.00 0.00 H HETATM 20 H UNL 1 1.875 1.656 0.325 1.00 0.00 H HETATM 21 H UNL 1 3.617 0.488 1.609 1.00 0.00 H HETATM 22 H UNL 1 1.856 1.646 3.845 1.00 0.00 H HETATM 23 H UNL 1 3.544 0.165 5.114 1.00 0.00 H HETATM 24 H UNL 1 1.210 -0.372 5.440 1.00 0.00 H HETATM 25 H UNL 1 2.098 -1.895 5.249 1.00 0.00 H HETATM 26 H UNL 1 2.311 -1.641 2.306 1.00 0.00 H HETATM 27 HA UNL 1 -0.459 -2.653 1.769 1.00 0.00 H HETATM 28 H UNL 1 0.873 -0.443 -1.052 1.00 0.00 H HETATM 29 H UNL 1 3.638 3.968 1.865 1.00 0.00 H HETATM 30 H UNL 1 4.696 -0.608 3.416 1.00 0.00 H HETATM 31 H UNL 1 2.250 -7.836 3.484 1.00 0.00 H HETATM 32 H UNL 1 0.575 -7.266 3.619 1.00 0.00 H HETATM 33 H UNL 1 1.878 -6.399 4.454 1.00 0.00 H HETATM 34 H UNL 1 1.465 -6.609 1.422 1.00 0.00 H HETATM 35 H UNL 1 2.891 -5.884 2.172 1.00 0.00 H HETATM 36 H UNL 1 1.459 -4.239 3.356 1.00 0.00 H HETATM 37 H UNL 1 0.012 -4.940 2.632 1.00 0.00 H HETATM 38 H UNL 1 2.322 -3.722 1.028 1.00 0.00 H HETATM 39 H UNL 1 0.842 -4.395 0.357 1.00 0.00 H CONECT 1 2 11 19 20 CONECT 2 1 3 21 CONECT 3 2 4 22 CONECT 4 3 5 12 23 CONECT 5 4 6 24 25 CONECT 6 5 7 13 CONECT 7 6 8 26 CONECT 8 7 9 18 27 CONECT 9 8 10 14 CONECT 10 9 28 CONECT 11 1 29 CONECT 12 4 30 CONECT 13 6 CONECT 14 9 CONECT 15 16 31 32 33 CONECT 16 15 17 34 35 CONECT 17 16 18 36 37 CONECT 18 8 17 38 39 CONECT 19 1 CONECT 20 1 CONECT 21 2 CONECT 22 3 CONECT 23 4 CONECT 24 5 CONECT 25 5 CONECT 26 7 CONECT 27 8 CONECT 28 10 CONECT 29 11 CONECT 30 12 CONECT 31 15 CONECT 32 15 CONECT 33 15 CONECT 34 16 CONECT 35 16 CONECT 36 17 CONECT 37 17 CONECT 38 18 CONECT 39 18 MASTER 0 0 0 0 0 0 0 0 39 0 39 0 END M END $$$$