D0IA4G AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.592 -0.625 -0.117 1.00 0.00 C HETATM 2 C UNL 1 -0.170 -1.334 0.842 1.00 0.00 C HETATM 3 C UNL 1 -1.431 -0.879 1.180 1.00 0.00 C HETATM 4 C UNL 1 -1.768 0.313 0.604 1.00 0.00 C HETATM 5 C UNL 1 -1.465 0.378 -0.749 1.00 0.00 C HETATM 6 C UNL 1 -0.140 0.068 -1.071 1.00 0.00 C HETATM 7 C UNL 1 2.056 -0.729 0.102 1.00 0.00 C HETATM 8 N UNL 1 3.095 0.065 -0.288 1.00 0.00 N HETATM 9 O UNL 1 2.426 -1.617 0.890 1.00 0.00 O HETATM 10 C UNL 1 3.522 1.082 -1.151 1.00 0.00 C HETATM 11 C UNL 1 2.793 1.806 -2.085 1.00 0.00 C HETATM 12 C UNL 1 3.463 2.603 -3.050 1.00 0.00 C HETATM 13 C UNL 1 4.858 2.668 -3.076 1.00 0.00 C HETATM 14 C UNL 1 5.584 2.033 -2.081 1.00 0.00 C HETATM 15 C UNL 1 4.918 1.287 -1.112 1.00 0.00 C HETATM 16 O UNL 1 5.581 3.126 -4.137 1.00 0.00 O HETATM 17 C UNL 1 5.530 4.525 -4.381 1.00 0.00 C HETATM 18 CL UNL 1 6.921 4.981 -5.378 1.00 0.00 Cl HETATM 19 F UNL 1 4.378 4.822 -5.029 1.00 0.00 F HETATM 20 F UNL 1 5.553 5.217 -3.217 1.00 0.00 F HETATM 21 N UNL 1 -1.950 1.457 1.342 1.00 0.00 N HETATM 22 C UNL 1 -2.018 1.514 2.801 1.00 0.00 C HETATM 23 C UNL 1 -2.276 2.996 3.094 1.00 0.00 C HETATM 24 C UNL 1 -3.002 3.459 1.838 1.00 0.00 C HETATM 25 C UNL 1 -2.190 2.765 0.745 1.00 0.00 C HETATM 26 O UNL 1 -3.054 4.867 1.721 1.00 0.00 O HETATM 27 C UNL 1 -2.601 0.536 -1.660 1.00 0.00 C HETATM 28 N UNL 1 -2.564 0.923 -2.967 1.00 0.00 N HETATM 29 N UNL 1 -3.758 1.000 -3.581 1.00 0.00 N HETATM 30 C UNL 1 -4.627 0.608 -2.636 1.00 0.00 C HETATM 31 C UNL 1 -3.950 0.303 -1.454 1.00 0.00 C HETATM 32 F UNL 1 -4.512 -0.130 -0.356 1.00 0.00 F HETATM 33 H UNL 1 0.251 -2.156 1.416 1.00 0.00 H HETATM 34 H UNL 1 -1.981 -1.305 2.009 1.00 0.00 H HETATM 35 H UNL 1 0.274 0.269 -2.054 1.00 0.00 H HETATM 36 H UNL 1 3.869 -0.314 0.252 1.00 0.00 H HETATM 37 H UNL 1 1.716 1.762 -2.125 1.00 0.00 H HETATM 38 H UNL 1 2.880 3.109 -3.817 1.00 0.00 H HETATM 39 H UNL 1 6.671 2.063 -2.084 1.00 0.00 H HETATM 40 H UNL 1 5.531 0.793 -0.359 1.00 0.00 H HETATM 41 H UNL 1 -1.097 1.178 3.295 1.00 0.00 H HETATM 42 H UNL 1 -2.857 0.903 3.145 1.00 0.00 H HETATM 43 H UNL 1 -1.334 3.548 3.216 1.00 0.00 H HETATM 44 H UNL 1 -2.863 3.149 4.004 1.00 0.00 H HETATM 45 H UNL 1 -4.025 3.064 1.833 1.00 0.00 H HETATM 46 H UNL 1 -1.247 3.295 0.547 1.00 0.00 H HETATM 47 H UNL 1 -2.757 2.739 -0.186 1.00 0.00 H HETATM 48 H UNL 1 -2.174 5.191 1.468 1.00 0.00 H HETATM 49 H UNL 1 -1.744 1.186 -3.506 1.00 0.00 H HETATM 50 H UNL 1 -5.678 0.542 -2.851 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 33 CONECT 3 2 4 34 CONECT 4 3 5 21 CONECT 5 4 6 27 CONECT 6 5 1 35 CONECT 7 1 8 9 CONECT 8 7 10 36 CONECT 9 7 CONECT 10 8 11 15 CONECT 11 10 12 37 CONECT 12 11 13 38 CONECT 13 12 14 16 CONECT 14 13 15 39 CONECT 15 14 10 40 CONECT 16 13 17 CONECT 17 16 18 19 20 CONECT 18 17 CONECT 19 17 CONECT 20 17 CONECT 21 4 22 25 CONECT 22 21 23 41 42 CONECT 23 22 24 43 44 CONECT 24 23 25 26 45 CONECT 25 24 21 46 47 CONECT 26 24 48 CONECT 27 5 28 31 CONECT 28 27 29 49 CONECT 29 28 30 CONECT 30 29 31 50 CONECT 31 30 27 32 CONECT 32 31 CONECT 33 2 CONECT 34 3 CONECT 35 6 CONECT 36 8 CONECT 37 11 CONECT 38 12 CONECT 39 14 CONECT 40 15 CONECT 41 22 CONECT 42 22 CONECT 43 23 CONECT 44 23 CONECT 45 24 CONECT 46 25 CONECT 47 25 CONECT 48 26 CONECT 49 28 CONECT 50 30 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$