D03EOJ AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.902 0.155 -1.773 1.00 0.00 C HETATM 2 C UNL 1 2.692 0.098 -2.921 1.00 0.00 C HETATM 3 C UNL 1 3.976 -0.448 -2.874 1.00 0.00 C HETATM 4 C UNL 1 4.481 -0.939 -1.665 1.00 0.00 C HETATM 5 C UNL 1 3.696 -0.864 -0.509 1.00 0.00 C HETATM 6 C UNL 1 2.402 -0.330 -0.562 1.00 0.00 C HETATM 7 S UNL 1 4.289 -1.580 1.019 1.00 0.00 S HETATM 8 O UNL 1 5.073 -0.348 1.759 1.00 0.00 O HETATM 9 C UNL 1 5.261 -0.343 3.120 1.00 0.00 C HETATM 10 O UNL 1 3.106 -1.932 1.785 1.00 0.00 O HETATM 11 O UNL 1 5.260 -2.597 0.660 1.00 0.00 O HETATM 12 C UNL 1 5.336 -1.487 3.914 1.00 0.00 C HETATM 13 C UNL 1 5.410 -1.379 5.311 1.00 0.00 C HETATM 14 C UNL 1 5.449 -0.126 5.934 1.00 0.00 C HETATM 15 C UNL 1 5.441 1.017 5.116 1.00 0.00 C HETATM 16 C UNL 1 5.360 0.909 3.723 1.00 0.00 C HETATM 17 C UNL 1 5.380 0.055 7.440 1.00 0.00 C HETATM 18 CA UNL 1 6.006 -1.033 8.333 1.00 0.00 C HETATM 19 N UNL 1 7.424 -1.298 8.086 1.00 0.00 N HETATM 20 C UNL 1 8.414 -0.362 8.176 1.00 0.00 C HETATM 21 C UNL 1 9.835 -0.873 7.858 1.00 0.00 C HETATM 22 O UNL 1 10.754 0.083 8.074 1.00 0.00 O HETATM 23 C UNL 1 5.740 -0.719 9.816 1.00 0.00 C HETATM 24 O UNL 1 6.348 0.394 10.289 1.00 0.00 O HETATM 25 OXT UNL 1 5.018 -1.405 10.527 1.00 0.00 O HETATM 26 O UNL 1 8.256 0.798 8.541 1.00 0.00 O HETATM 27 O UNL 1 10.045 -2.012 7.487 1.00 0.00 O HETATM 28 BR UNL 1 2.011 0.754 -4.559 1.00 0.00 Br HETATM 29 H UNL 1 0.893 0.560 -1.814 1.00 0.00 H HETATM 30 H UNL 1 4.583 -0.509 -3.775 1.00 0.00 H HETATM 31 H UNL 1 5.471 -1.389 -1.642 1.00 0.00 H HETATM 32 H UNL 1 1.771 -0.305 0.325 1.00 0.00 H HETATM 33 H UNL 1 5.306 -2.482 3.478 1.00 0.00 H HETATM 34 H UNL 1 5.401 -2.299 5.889 1.00 0.00 H HETATM 35 H UNL 1 5.465 2.011 5.561 1.00 0.00 H HETATM 36 H UNL 1 5.336 1.812 3.118 1.00 0.00 H HETATM 37 H UNL 1 4.316 0.148 7.701 1.00 0.00 H HETATM 38 H UNL 1 5.828 1.026 7.687 1.00 0.00 H HETATM 39 HA UNL 1 5.499 -1.988 8.143 1.00 0.00 H HETATM 40 H UNL 1 7.703 -2.233 7.795 1.00 0.00 H HETATM 41 H UNL 1 10.314 0.907 8.385 1.00 0.00 H HETATM 42 H UNL 1 6.950 0.835 9.645 1.00 0.00 H CONECT 1 2 6 29 CONECT 2 1 3 28 CONECT 3 2 4 30 CONECT 4 3 5 31 CONECT 5 4 6 7 CONECT 6 5 1 32 CONECT 7 5 8 10 11 CONECT 8 7 9 CONECT 9 8 12 16 CONECT 10 7 CONECT 11 7 CONECT 12 9 13 33 CONECT 13 12 14 34 CONECT 14 13 15 17 CONECT 15 14 16 35 CONECT 16 15 9 36 CONECT 17 14 18 37 38 CONECT 18 17 19 23 39 CONECT 19 18 20 40 CONECT 20 19 21 26 CONECT 21 20 22 27 CONECT 22 21 41 CONECT 23 18 24 25 CONECT 24 23 42 CONECT 25 23 CONECT 26 20 CONECT 27 21 CONECT 28 2 CONECT 29 1 CONECT 30 3 CONECT 31 4 CONECT 32 6 CONECT 33 12 CONECT 34 13 CONECT 35 15 CONECT 36 16 CONECT 37 17 CONECT 38 17 CONECT 39 18 CONECT 40 19 CONECT 41 22 CONECT 42 24 MASTER 0 0 0 0 0 0 0 0 42 0 42 0 END M END $$$$