D0XG7K AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.250 -0.478 -0.544 1.00 0.00 C HETATM 2 N UNL 1 -0.613 -1.274 -1.554 1.00 0.00 N HETATM 3 C UNL 1 -1.867 -1.858 -1.443 1.00 0.00 C HETATM 4 C UNL 1 -2.805 -1.606 -0.440 1.00 0.00 C HETATM 5 C UNL 1 -2.477 -0.514 0.366 1.00 0.00 C HETATM 6 C UNL 1 -1.134 -0.099 0.424 1.00 0.00 C HETATM 7 N UNL 1 -3.993 -2.361 -0.256 1.00 0.00 N HETATM 8 C UNL 1 -4.211 -3.758 -0.529 1.00 0.00 C HETATM 9 C UNL 1 -3.197 0.391 1.368 1.00 0.00 C HETATM 10 C UNL 1 -2.937 -0.072 2.805 1.00 0.00 C HETATM 11 C UNL 1 -1.389 -0.024 2.890 1.00 0.00 C HETATM 12 C UNL 1 -0.979 0.796 1.628 1.00 0.00 C HETATM 13 C UNL 1 -4.291 -4.325 -1.815 1.00 0.00 C HETATM 14 C UNL 1 -4.614 -5.699 -2.015 1.00 0.00 C HETATM 15 C UNL 1 -4.831 -6.509 -0.903 1.00 0.00 C HETATM 16 C UNL 1 -4.657 -5.988 0.377 1.00 0.00 C HETATM 17 C UNL 1 -4.367 -4.633 0.561 1.00 0.00 C HETATM 18 O UNL 1 -4.673 -6.127 -3.316 1.00 0.00 O HETATM 19 C UNL 1 -4.985 -7.488 -3.613 1.00 0.00 C HETATM 20 F UNL 1 -4.387 -8.371 -2.782 1.00 0.00 F HETATM 21 F UNL 1 -6.323 -7.690 -3.580 1.00 0.00 F HETATM 22 F UNL 1 -4.554 -7.772 -4.865 1.00 0.00 F HETATM 23 O UNL 1 1.008 0.063 -0.473 1.00 0.00 O HETATM 24 C UNL 1 -2.233 1.626 1.366 1.00 0.00 C HETATM 25 S UNL 1 2.215 -0.491 -1.391 1.00 0.00 S HETATM 26 O UNL 1 2.161 -1.944 -1.480 1.00 0.00 O HETATM 27 C UNL 1 1.815 0.331 -2.990 1.00 0.00 C HETATM 28 O UNL 1 3.432 0.111 -0.842 1.00 0.00 O HETATM 29 F UNL 1 0.791 1.230 -2.890 1.00 0.00 F HETATM 30 F UNL 1 2.881 1.050 -3.466 1.00 0.00 F HETATM 31 F UNL 1 1.487 -0.540 -3.985 1.00 0.00 F HETATM 32 H UNL 1 -2.070 -2.569 -2.241 1.00 0.00 H HETATM 33 H UNL 1 -4.286 -2.197 0.708 1.00 0.00 H HETATM 34 H UNL 1 -4.222 0.663 1.112 1.00 0.00 H HETATM 35 H UNL 1 -3.358 -1.051 3.037 1.00 0.00 H HETATM 36 H UNL 1 -3.359 0.658 3.513 1.00 0.00 H HETATM 37 H UNL 1 -0.981 -1.042 2.872 1.00 0.00 H HETATM 38 H UNL 1 -1.071 0.459 3.820 1.00 0.00 H HETATM 39 H UNL 1 -0.026 1.321 1.703 1.00 0.00 H HETATM 40 H UNL 1 -4.149 -3.698 -2.695 1.00 0.00 H HETATM 41 H UNL 1 -5.122 -7.553 -0.971 1.00 0.00 H HETATM 42 H UNL 1 -4.754 -6.648 1.238 1.00 0.00 H HETATM 43 H UNL 1 -4.278 -4.269 1.580 1.00 0.00 H HETATM 44 H UNL 1 -2.197 2.166 0.411 1.00 0.00 H HETATM 45 H UNL 1 -2.425 2.350 2.169 1.00 0.00 H CONECT 1 2 6 23 CONECT 2 1 3 CONECT 3 2 4 32 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 12 CONECT 7 4 8 33 CONECT 8 7 13 17 CONECT 9 5 10 24 34 CONECT 10 9 11 35 36 CONECT 11 10 12 37 38 CONECT 12 11 6 24 39 CONECT 13 8 14 40 CONECT 14 13 15 18 CONECT 15 14 16 41 CONECT 16 15 17 42 CONECT 17 16 8 43 CONECT 18 14 19 CONECT 19 18 20 21 22 CONECT 20 19 CONECT 21 19 CONECT 22 19 CONECT 23 1 25 CONECT 24 12 9 44 45 CONECT 25 23 26 27 28 CONECT 26 25 CONECT 27 25 29 30 31 CONECT 28 25 CONECT 29 27 CONECT 30 27 CONECT 31 27 CONECT 32 3 CONECT 33 7 CONECT 34 9 CONECT 35 10 CONECT 36 10 CONECT 37 11 CONECT 38 11 CONECT 39 12 CONECT 40 13 CONECT 41 15 CONECT 42 16 CONECT 43 17 CONECT 44 24 CONECT 45 24 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$