D0Q1NA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.546 0.421 1.658 1.00 0.00 C HETATM 2 C UNL 1 3.808 -0.827 2.212 1.00 0.00 C HETATM 3 C UNL 1 4.698 -1.669 1.592 1.00 0.00 C HETATM 4 C UNL 1 5.342 -1.320 0.390 1.00 0.00 C HETATM 5 C UNL 1 5.161 -0.054 -0.162 1.00 0.00 C HETATM 6 C UNL 1 4.220 0.790 0.485 1.00 0.00 C HETATM 7 F UNL 1 3.162 -1.199 3.328 1.00 0.00 F HETATM 8 C UNL 1 5.790 0.424 -1.488 1.00 0.00 C HETATM 9 O UNL 1 6.994 -0.127 -2.110 1.00 0.00 O HETATM 10 C UNL 1 8.155 -0.044 -1.362 1.00 0.00 C HETATM 11 C UNL 1 9.356 0.623 -1.868 1.00 0.00 C HETATM 12 C UNL 1 10.457 0.792 -1.072 1.00 0.00 C HETATM 13 N UNL 1 10.498 0.318 0.302 1.00 0.00 N HETATM 14 C UNL 1 9.726 -1.036 0.230 1.00 0.00 C HETATM 15 C UNL 1 8.498 -1.078 -0.602 1.00 0.00 C HETATM 16 C UNL 1 11.961 0.319 1.104 1.00 0.00 C HETATM 17 C UNL 1 12.655 1.609 2.229 1.00 0.00 C HETATM 18 C UNL 1 13.829 1.941 3.610 1.00 0.00 C HETATM 19 C UNL 1 13.604 -1.085 0.738 1.00 0.00 C HETATM 20 C UNL 1 13.526 -2.128 -0.252 1.00 0.00 C HETATM 21 C UNL 1 12.455 -1.236 0.327 1.00 0.00 C HETATM 22 N UNL 1 14.204 0.237 3.788 1.00 0.00 N HETATM 23 C UNL 1 14.903 -0.167 2.565 1.00 0.00 C HETATM 24 N UNL 1 14.582 -1.350 1.937 1.00 0.00 N HETATM 25 C UNL 1 13.042 -0.535 4.257 1.00 0.00 C HETATM 26 C UNL 1 16.166 0.600 2.270 1.00 0.00 C HETATM 27 O UNL 1 9.961 -2.150 0.699 1.00 0.00 O HETATM 28 H UNL 1 2.804 1.070 2.132 1.00 0.00 H HETATM 29 H UNL 1 4.859 -2.679 2.029 1.00 0.00 H HETATM 30 H UNL 1 5.975 -2.046 -0.055 1.00 0.00 H HETATM 31 H UNL 1 3.965 1.757 0.058 1.00 0.00 H HETATM 32 H UNL 1 5.927 1.510 -1.441 1.00 0.00 H HETATM 33 H UNL 1 4.998 0.240 -2.231 1.00 0.00 H HETATM 34 H UNL 1 9.422 0.723 -2.958 1.00 0.00 H HETATM 35 H UNL 1 11.415 1.029 -1.527 1.00 0.00 H HETATM 36 H UNL 1 7.963 -2.024 -0.699 1.00 0.00 H HETATM 37 H UNL 1 12.329 2.641 1.854 1.00 0.00 H HETATM 38 H UNL 1 13.553 -3.184 -0.014 1.00 0.00 H HETATM 39 H UNL 1 11.804 -1.981 0.899 1.00 0.00 H HETATM 40 H UNL 1 12.712 -0.129 5.213 1.00 0.00 H HETATM 41 H UNL 1 13.310 -1.587 4.335 1.00 0.00 H HETATM 42 H UNL 1 12.212 -0.446 3.542 1.00 0.00 H HETATM 43 H UNL 1 16.286 1.474 2.923 1.00 0.00 H HETATM 44 H UNL 1 16.166 0.953 1.237 1.00 0.00 H HETATM 45 H UNL 1 17.039 -0.037 2.441 1.00 0.00 H CONECT 1 2 6 28 CONECT 2 1 3 7 CONECT 3 2 4 29 CONECT 4 3 5 30 CONECT 5 4 6 8 CONECT 6 5 1 31 CONECT 7 2 CONECT 8 5 9 32 33 CONECT 9 8 10 CONECT 10 9 11 15 CONECT 11 10 12 34 CONECT 12 11 13 35 CONECT 13 12 14 16 CONECT 14 13 15 27 CONECT 15 14 10 36 CONECT 16 13 17 21 CONECT 17 16 18 37 CONECT 18 17 19 22 CONECT 19 18 20 24 CONECT 20 19 21 38 CONECT 21 20 16 39 CONECT 22 18 23 25 CONECT 23 22 24 26 CONECT 24 23 19 CONECT 25 22 40 41 42 CONECT 26 23 43 44 45 CONECT 27 14 CONECT 28 1 CONECT 29 3 CONECT 30 4 CONECT 31 6 CONECT 32 8 CONECT 33 8 CONECT 34 11 CONECT 35 12 CONECT 36 15 CONECT 37 17 CONECT 38 20 CONECT 39 21 CONECT 40 25 CONECT 41 25 CONECT 42 25 CONECT 43 26 CONECT 44 26 CONECT 45 26 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$