D0KS3G AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 O UNL 1 3.339 1.864 1.321 1.00 0.00 O HETATM 2 C UNL 1 4.455 2.681 0.769 1.00 0.00 C HETATM 3 C UNL 1 5.391 1.567 0.264 1.00 0.00 C HETATM 4 C UNL 1 4.431 0.525 -0.304 1.00 0.00 C HETATM 5 C UNL 1 3.335 0.471 0.746 1.00 0.00 C HETATM 6 N UNL 1 3.370 -0.688 1.695 1.00 0.00 N HETATM 7 C UNL 1 4.387 3.826 -0.407 1.00 0.00 C HETATM 8 O UNL 1 6.161 1.034 1.343 1.00 0.00 O HETATM 9 O UNL 1 3.843 1.008 -1.520 1.00 0.00 O HETATM 10 C UNL 1 3.772 -2.013 1.410 1.00 0.00 C HETATM 11 C UNL 1 2.841 -2.832 2.041 1.00 0.00 C HETATM 12 N UNL 1 2.036 -2.093 2.867 1.00 0.00 N HETATM 13 C UNL 1 2.466 -0.848 2.732 1.00 0.00 C HETATM 14 N UNL 1 4.809 -2.446 0.668 1.00 0.00 N HETATM 15 C UNL 1 4.861 -3.814 0.613 1.00 0.00 C HETATM 16 N UNL 1 3.951 -4.693 1.066 1.00 0.00 N HETATM 17 C UNL 1 2.890 -4.224 1.753 1.00 0.00 C HETATM 18 N UNL 1 1.926 -5.144 2.141 1.00 0.00 N HETATM 19 P UNL 1 3.304 5.300 -0.361 1.00 0.00 P HETATM 20 C UNL 1 3.999 5.860 -1.958 1.00 0.00 C HETATM 21 P UNL 1 5.457 6.922 -1.650 1.00 0.00 P HETATM 22 C UNL 1 5.692 7.177 -3.533 1.00 0.00 C HETATM 23 O UNL 1 7.093 7.386 -3.745 1.00 0.00 O HETATM 24 O UNL 1 4.506 8.012 -1.135 1.00 0.00 O HETATM 25 O UNL 1 6.836 7.926 -1.358 1.00 0.00 O HETATM 26 O UNL 1 2.117 4.405 -0.734 1.00 0.00 O HETATM 27 O UNL 1 2.280 6.693 -0.318 1.00 0.00 O HETATM 28 H UNL 1 4.870 3.189 1.647 1.00 0.00 H HETATM 29 H UNL 1 6.088 1.922 -0.496 1.00 0.00 H HETATM 30 H UNL 1 4.912 -0.427 -0.521 1.00 0.00 H HETATM 31 H UNL 1 2.338 0.359 0.299 1.00 0.00 H HETATM 32 H UNL 1 4.178 3.303 -1.344 1.00 0.00 H HETATM 33 H UNL 1 5.414 4.208 -0.487 1.00 0.00 H HETATM 34 H UNL 1 5.635 1.077 2.164 1.00 0.00 H HETATM 35 H UNL 1 4.275 0.548 -2.261 1.00 0.00 H HETATM 36 H UNL 1 2.117 -0.010 3.323 1.00 0.00 H HETATM 37 H UNL 1 5.739 -4.245 0.163 1.00 0.00 H HETATM 38 H UNL 1 2.251 -6.102 2.146 1.00 0.00 H HETATM 39 H UNL 1 1.293 -4.837 2.866 1.00 0.00 H HETATM 40 H UNL 1 3.241 6.390 -2.549 1.00 0.00 H HETATM 41 H UNL 1 4.316 5.014 -2.575 1.00 0.00 H HETATM 42 H UNL 1 5.137 8.064 -3.849 1.00 0.00 H HETATM 43 H UNL 1 5.380 6.294 -4.094 1.00 0.00 H HETATM 44 H UNL 1 7.264 8.273 -3.364 1.00 0.00 H HETATM 45 H UNL 1 7.677 7.449 -1.519 1.00 0.00 H HETATM 46 H UNL 1 2.723 7.504 -0.673 1.00 0.00 H CONECT 1 2 5 CONECT 2 1 3 7 28 CONECT 3 2 4 8 29 CONECT 4 3 5 9 30 CONECT 5 4 1 6 31 CONECT 6 5 10 13 CONECT 7 2 19 32 33 CONECT 8 3 34 CONECT 9 4 35 CONECT 10 6 11 14 CONECT 11 10 12 17 CONECT 12 11 13 CONECT 13 12 6 36 CONECT 14 10 15 CONECT 15 14 16 37 CONECT 16 15 17 CONECT 17 16 11 18 CONECT 18 17 38 39 CONECT 19 7 20 26 27 CONECT 20 19 21 40 41 CONECT 21 20 22 24 25 CONECT 22 21 23 42 43 CONECT 23 22 44 CONECT 24 21 CONECT 25 21 45 CONECT 26 19 CONECT 27 19 46 CONECT 28 2 CONECT 29 3 CONECT 30 4 CONECT 31 5 CONECT 32 7 CONECT 33 7 CONECT 34 8 CONECT 35 9 CONECT 36 13 CONECT 37 15 CONECT 38 18 CONECT 39 18 CONECT 40 20 CONECT 41 20 CONECT 42 22 CONECT 43 22 CONECT 44 23 CONECT 45 25 CONECT 46 27 MASTER 0 0 0 0 0 0 0 0 46 0 46 0 END M END $$$$