D0I2OO AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.718 -0.554 0.649 1.00 0.00 C HETATM 2 N UNL 1 1.061 0.598 0.860 1.00 0.00 N HETATM 3 C UNL 1 -0.317 0.530 0.929 1.00 0.00 C HETATM 4 C UNL 1 -1.082 -0.614 0.836 1.00 0.00 C HETATM 5 C UNL 1 -0.298 -1.720 0.535 1.00 0.00 C HETATM 6 N UNL 1 1.067 -1.721 0.437 1.00 0.00 N HETATM 7 N UNL 1 -2.477 -0.796 1.043 1.00 0.00 N HETATM 8 C UNL 1 -3.544 -0.094 1.546 1.00 0.00 C HETATM 9 N UNL 1 -3.422 1.242 1.811 1.00 0.00 N HETATM 10 C UNL 1 -4.391 2.050 2.508 1.00 0.00 C HETATM 11 C UNL 1 -5.793 1.890 2.505 1.00 0.00 C HETATM 12 C UNL 1 -6.588 2.578 3.440 1.00 0.00 C HETATM 13 C UNL 1 -6.027 3.519 4.300 1.00 0.00 C HETATM 14 C UNL 1 -4.671 3.836 4.190 1.00 0.00 C HETATM 15 C UNL 1 -3.867 3.090 3.298 1.00 0.00 C HETATM 16 CL UNL 1 -6.664 1.087 1.243 1.00 0.00 Cl HETATM 17 O UNL 1 -4.544 -0.771 1.781 1.00 0.00 O HETATM 18 O UNL 1 3.128 -0.645 0.574 1.00 0.00 O HETATM 19 C UNL 1 4.044 0.291 1.035 1.00 0.00 C HETATM 20 C UNL 1 5.322 -0.190 1.411 1.00 0.00 C HETATM 21 C UNL 1 6.392 0.661 1.882 1.00 0.00 C HETATM 22 C UNL 1 6.241 2.051 1.967 1.00 0.00 C HETATM 23 C UNL 1 4.975 2.512 1.511 1.00 0.00 C HETATM 24 C UNL 1 3.906 1.668 1.057 1.00 0.00 C HETATM 25 C UNL 1 7.297 3.065 2.413 1.00 0.00 C HETATM 26 S UNL 1 8.615 2.867 3.577 1.00 0.00 S HETATM 27 C UNL 1 9.038 4.575 3.510 1.00 0.00 C HETATM 28 N UNL 1 8.320 5.204 2.604 1.00 0.00 N HETATM 29 C UNL 1 7.380 4.390 2.008 1.00 0.00 C HETATM 30 N UNL 1 9.831 5.366 4.285 1.00 0.00 N HETATM 31 C UNL 1 11.150 5.190 4.872 1.00 0.00 C HETATM 32 C UNL 1 12.329 5.310 3.892 1.00 0.00 C HETATM 33 C UNL 1 12.431 6.613 3.100 1.00 0.00 C HETATM 34 C UNL 1 -4.081 4.969 4.999 1.00 0.00 C HETATM 35 F UNL 1 -4.951 5.509 5.898 1.00 0.00 F HETATM 36 F UNL 1 -2.989 4.588 5.715 1.00 0.00 F HETATM 37 F UNL 1 -3.672 6.002 4.211 1.00 0.00 F HETATM 38 H UNL 1 -0.764 1.507 1.042 1.00 0.00 H HETATM 39 H UNL 1 -0.748 -2.700 0.372 1.00 0.00 H HETATM 40 H UNL 1 -2.803 -1.753 0.928 1.00 0.00 H HETATM 41 H UNL 1 -2.475 1.571 1.900 1.00 0.00 H HETATM 42 H UNL 1 -7.664 2.411 3.477 1.00 0.00 H HETATM 43 H UNL 1 -6.663 4.039 5.017 1.00 0.00 H HETATM 44 H UNL 1 -2.804 3.325 3.251 1.00 0.00 H HETATM 45 H UNL 1 5.516 -1.261 1.326 1.00 0.00 H HETATM 46 H UNL 1 7.339 0.190 2.140 1.00 0.00 H HETATM 47 H UNL 1 4.776 3.583 1.486 1.00 0.00 H HETATM 48 H UNL 1 2.994 2.138 0.699 1.00 0.00 H HETATM 49 H UNL 1 6.732 4.845 1.271 1.00 0.00 H HETATM 50 H UNL 1 9.665 6.351 4.066 1.00 0.00 H HETATM 51 H UNL 1 11.231 4.266 5.453 1.00 0.00 H HETATM 52 H UNL 1 11.286 6.007 5.603 1.00 0.00 H HETATM 53 H UNL 1 12.293 4.472 3.194 1.00 0.00 H HETATM 54 H UNL 1 13.265 5.208 4.462 1.00 0.00 H HETATM 55 H UNL 1 11.516 6.825 2.543 1.00 0.00 H HETATM 56 H UNL 1 13.249 6.539 2.371 1.00 0.00 H HETATM 57 H UNL 1 12.656 7.471 3.745 1.00 0.00 H CONECT 1 2 6 18 CONECT 2 1 3 CONECT 3 2 4 38 CONECT 4 3 5 7 CONECT 5 4 6 39 CONECT 6 5 1 CONECT 7 4 8 40 CONECT 8 7 9 17 CONECT 9 8 10 41 CONECT 10 9 11 15 CONECT 11 10 12 16 CONECT 12 11 13 42 CONECT 13 12 14 43 CONECT 14 13 15 34 CONECT 15 14 10 44 CONECT 16 11 CONECT 17 8 CONECT 18 1 19 CONECT 19 18 20 24 CONECT 20 19 21 45 CONECT 21 20 22 46 CONECT 22 21 23 25 CONECT 23 22 24 47 CONECT 24 23 19 48 CONECT 25 22 26 29 CONECT 26 25 27 CONECT 27 26 28 30 CONECT 28 27 29 CONECT 29 28 25 49 CONECT 30 27 31 50 CONECT 31 30 32 51 52 CONECT 32 31 33 53 54 CONECT 33 32 55 56 57 CONECT 34 14 35 36 37 CONECT 35 34 CONECT 36 34 CONECT 37 34 CONECT 38 3 CONECT 39 5 CONECT 40 7 CONECT 41 9 CONECT 42 12 CONECT 43 13 CONECT 44 15 CONECT 45 20 CONECT 46 21 CONECT 47 23 CONECT 48 24 CONECT 49 29 CONECT 50 30 CONECT 51 31 CONECT 52 31 CONECT 53 32 CONECT 54 32 CONECT 55 33 CONECT 56 33 CONECT 57 33 MASTER 0 0 0 0 0 0 0 0 57 0 57 0 END $$$$