D0QP4N AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.656 1.578 1.355 1.00 0.00 C HETATM 2 C UNL 1 -0.101 2.539 2.051 1.00 0.00 C HETATM 3 C UNL 1 -1.492 2.562 1.793 1.00 0.00 C HETATM 4 C UNL 1 -2.150 1.576 1.011 1.00 0.00 C HETATM 5 C UNL 1 -1.371 0.550 0.467 1.00 0.00 C HETATM 6 C UNL 1 0.025 0.565 0.621 1.00 0.00 C HETATM 7 N UNL 1 0.493 3.499 2.918 1.00 0.00 N HETATM 8 C UNL 1 0.523 4.891 2.573 1.00 0.00 C HETATM 9 N UNL 1 0.599 5.111 1.241 1.00 0.00 N HETATM 10 C UNL 1 1.617 5.868 0.815 1.00 0.00 C HETATM 11 C UNL 1 2.505 6.490 1.670 1.00 0.00 C HETATM 12 C UNL 1 2.100 6.643 3.003 1.00 0.00 C HETATM 13 C UNL 1 1.020 5.887 3.435 1.00 0.00 C HETATM 14 CL UNL 1 0.339 6.265 4.980 1.00 0.00 Cl HETATM 15 CL UNL 1 2.390 1.644 1.278 1.00 0.00 Cl HETATM 16 C UNL 1 -3.668 1.648 0.905 1.00 0.00 C HETATM 17 N UNL 1 -4.331 0.745 0.072 1.00 0.00 N HETATM 18 O UNL 1 -4.236 2.508 1.572 1.00 0.00 O HETATM 19 C UNL 1 -5.741 0.499 0.011 1.00 0.00 C HETATM 20 C UNL 1 -6.704 1.079 0.845 1.00 0.00 C HETATM 21 C UNL 1 -8.069 0.717 0.756 1.00 0.00 C HETATM 22 C UNL 1 -8.502 -0.247 -0.167 1.00 0.00 C HETATM 23 C UNL 1 -7.539 -0.827 -0.999 1.00 0.00 C HETATM 24 C UNL 1 -6.189 -0.444 -0.928 1.00 0.00 C HETATM 25 C UNL 1 -9.951 -0.671 -0.296 1.00 0.00 C HETATM 26 C UNL 1 0.521 3.191 4.369 1.00 0.00 C HETATM 27 C UNL 1 1.079 1.875 4.903 1.00 0.00 C HETATM 28 N UNL 1 1.990 1.154 4.211 1.00 0.00 N HETATM 29 O UNL 1 0.824 1.511 6.057 1.00 0.00 O HETATM 30 H UNL 1 2.413 1.482 3.352 1.00 0.00 H HETATM 31 F UNL 1 -10.833 0.146 0.344 1.00 0.00 F HETATM 32 F UNL 1 -10.362 -0.710 -1.597 1.00 0.00 F HETATM 33 F UNL 1 -10.177 -1.923 0.194 1.00 0.00 F HETATM 34 C UNL 1 3.864 6.854 1.192 1.00 0.00 C HETATM 35 F UNL 1 4.208 6.202 0.043 1.00 0.00 F HETATM 36 F UNL 1 4.016 8.177 0.939 1.00 0.00 F HETATM 37 F UNL 1 4.831 6.519 2.094 1.00 0.00 F HETATM 38 H UNL 1 -2.075 3.387 2.201 1.00 0.00 H HETATM 39 H UNL 1 -1.805 -0.278 -0.084 1.00 0.00 H HETATM 40 H UNL 1 0.627 -0.221 0.166 1.00 0.00 H HETATM 41 H UNL 1 1.757 5.864 -0.266 1.00 0.00 H HETATM 42 H UNL 1 2.662 7.267 3.692 1.00 0.00 H HETATM 43 H UNL 1 -3.777 0.183 -0.557 1.00 0.00 H HETATM 44 H UNL 1 -6.431 1.821 1.592 1.00 0.00 H HETATM 45 H UNL 1 -8.789 1.198 1.419 1.00 0.00 H HETATM 46 H UNL 1 -7.842 -1.588 -1.721 1.00 0.00 H HETATM 47 H UNL 1 -5.496 -0.899 -1.629 1.00 0.00 H HETATM 48 H UNL 1 -0.487 3.313 4.774 1.00 0.00 H HETATM 49 H UNL 1 1.205 3.881 4.872 1.00 0.00 H HETATM 50 H UNL 1 2.397 0.351 4.673 1.00 0.00 H CONECT 1 2 6 15 CONECT 2 1 3 7 CONECT 3 2 4 38 CONECT 4 3 5 16 CONECT 5 4 6 39 CONECT 6 5 1 40 CONECT 7 2 8 26 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 41 CONECT 11 10 12 34 CONECT 12 11 13 42 CONECT 13 12 8 14 CONECT 14 13 CONECT 15 1 CONECT 16 4 17 18 CONECT 17 16 19 43 CONECT 18 16 CONECT 19 17 20 24 CONECT 20 19 21 44 CONECT 21 20 22 45 CONECT 22 21 23 25 CONECT 23 22 24 46 CONECT 24 23 19 47 CONECT 25 22 31 32 33 CONECT 26 7 27 48 49 CONECT 27 26 28 29 CONECT 28 27 30 50 CONECT 29 27 CONECT 30 28 CONECT 31 25 CONECT 32 25 CONECT 33 25 CONECT 34 11 35 36 37 CONECT 35 34 CONECT 36 34 CONECT 37 34 CONECT 38 3 CONECT 39 5 CONECT 40 6 CONECT 41 10 CONECT 42 12 CONECT 43 17 CONECT 44 20 CONECT 45 21 CONECT 46 23 CONECT 47 24 CONECT 48 26 CONECT 49 26 CONECT 50 28 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$