D0T1JN AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 1.261 -1.137 -3.404 1.00 0.00 N HETATM 2 C UNL 1 1.088 0.070 -2.913 1.00 0.00 C HETATM 3 S UNL 1 2.371 0.684 -1.960 1.00 0.00 S HETATM 4 C UNL 1 3.259 -0.773 -2.226 1.00 0.00 C HETATM 5 C UNL 1 2.486 -1.626 -3.000 1.00 0.00 C HETATM 6 C UNL 1 4.649 -0.939 -1.658 1.00 0.00 C HETATM 7 C UNL 1 4.523 -1.455 -0.180 1.00 0.00 C HETATM 8 N UNL 1 5.583 -1.710 -2.539 1.00 0.00 N HETATM 9 N UNL 1 3.935 -2.777 0.083 1.00 0.00 N HETATM 10 C UNL 1 3.694 -3.119 1.408 1.00 0.00 C HETATM 11 C UNL 1 3.237 -4.485 1.830 1.00 0.00 C HETATM 12 O UNL 1 3.910 -2.305 2.304 1.00 0.00 O HETATM 13 C UNL 1 2.453 -4.543 3.000 1.00 0.00 C HETATM 14 C UNL 1 2.589 -5.599 3.912 1.00 0.00 C HETATM 15 C UNL 1 3.543 -6.584 3.693 1.00 0.00 C HETATM 16 C UNL 1 4.216 -6.618 2.475 1.00 0.00 C HETATM 17 C UNL 1 3.985 -5.634 1.493 1.00 0.00 C HETATM 18 C UNL 1 4.227 -6.041 0.064 1.00 0.00 C HETATM 19 CL UNL 1 1.214 -3.374 3.327 1.00 0.00 Cl HETATM 20 C UNL 1 5.593 -1.293 -3.963 1.00 0.00 C HETATM 21 C UNL 1 6.908 -0.772 -4.553 1.00 0.00 C HETATM 22 C UNL 1 8.117 -1.580 -4.131 1.00 0.00 C HETATM 23 C UNL 1 7.887 -2.466 -2.933 1.00 0.00 C HETATM 24 C UNL 1 6.944 -1.757 -1.974 1.00 0.00 C HETATM 25 F UNL 1 9.128 -0.710 -3.845 1.00 0.00 F HETATM 26 F UNL 1 8.567 -2.334 -5.168 1.00 0.00 F HETATM 27 H UNL 1 0.194 0.651 -3.099 1.00 0.00 H HETATM 28 H UNL 1 2.798 -2.610 -3.336 1.00 0.00 H HETATM 29 H UNL 1 5.081 0.072 -1.582 1.00 0.00 H HETATM 30 H UNL 1 3.928 -0.727 0.391 1.00 0.00 H HETATM 31 H UNL 1 5.508 -1.452 0.308 1.00 0.00 H HETATM 32 H UNL 1 3.781 -3.427 -0.684 1.00 0.00 H HETATM 33 H UNL 1 1.976 -5.639 4.808 1.00 0.00 H HETATM 34 H UNL 1 3.714 -7.362 4.432 1.00 0.00 H HETATM 35 H UNL 1 4.889 -7.451 2.271 1.00 0.00 H HETATM 36 H UNL 1 4.827 -6.959 0.010 1.00 0.00 H HETATM 37 H UNL 1 4.720 -5.283 -0.526 1.00 0.00 H HETATM 38 H UNL 1 3.249 -6.287 -0.383 1.00 0.00 H HETATM 39 H UNL 1 4.836 -0.532 -4.183 1.00 0.00 H HETATM 40 H UNL 1 5.298 -2.179 -4.542 1.00 0.00 H HETATM 41 H UNL 1 7.044 0.274 -4.254 1.00 0.00 H HETATM 42 H UNL 1 6.833 -0.778 -5.645 1.00 0.00 H HETATM 43 H UNL 1 8.840 -2.680 -2.436 1.00 0.00 H HETATM 44 H UNL 1 7.464 -3.429 -3.244 1.00 0.00 H HETATM 45 H UNL 1 7.318 -0.745 -1.754 1.00 0.00 H HETATM 46 H UNL 1 6.946 -2.319 -1.037 1.00 0.00 H CONECT 1 2 5 CONECT 2 1 3 27 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 1 28 CONECT 6 4 7 8 29 CONECT 7 6 9 30 31 CONECT 8 6 20 24 CONECT 9 7 10 32 CONECT 10 9 11 12 CONECT 11 10 13 17 CONECT 12 10 CONECT 13 11 14 19 CONECT 14 13 15 33 CONECT 15 14 16 34 CONECT 16 15 17 35 CONECT 17 16 11 18 CONECT 18 17 36 37 38 CONECT 19 13 CONECT 20 8 21 39 40 CONECT 21 20 22 41 42 CONECT 22 21 23 25 26 CONECT 23 22 24 43 44 CONECT 24 23 8 45 46 CONECT 25 22 CONECT 26 22 CONECT 27 2 CONECT 28 5 CONECT 29 6 CONECT 30 7 CONECT 31 7 CONECT 32 9 CONECT 33 14 CONECT 34 15 CONECT 35 16 CONECT 36 18 CONECT 37 18 CONECT 38 18 CONECT 39 20 CONECT 40 20 CONECT 41 21 CONECT 42 21 CONECT 43 23 CONECT 44 23 CONECT 45 24 CONECT 46 24 MASTER 0 0 0 0 0 0 0 0 46 0 46 0 END M END $$$$