D0DT5I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.139 0.602 -0.092 1.00 0.00 C HETATM 2 C UNL 1 0.353 0.201 -1.170 1.00 0.00 C HETATM 3 C UNL 1 -1.000 0.014 -0.962 1.00 0.00 C HETATM 4 C UNL 1 -1.563 0.238 0.262 1.00 0.00 C HETATM 5 C UNL 1 -0.902 0.942 1.306 1.00 0.00 C HETATM 6 C UNL 1 0.543 1.022 1.115 1.00 0.00 C HETATM 7 N UNL 1 -2.728 -0.373 0.413 1.00 0.00 N HETATM 8 C UNL 1 -3.243 -0.360 1.619 1.00 0.00 C HETATM 9 N UNL 1 -2.873 0.467 2.592 1.00 0.00 N HETATM 10 C UNL 1 -1.759 1.214 2.406 1.00 0.00 C HETATM 11 N UNL 1 -1.592 2.093 3.494 1.00 0.00 N HETATM 12 C UNL 1 -1.753 3.517 3.618 1.00 0.00 C HETATM 13 C UNL 1 -1.294 4.466 2.708 1.00 0.00 C HETATM 14 C UNL 1 -1.358 5.849 3.001 1.00 0.00 C HETATM 15 C UNL 1 -1.910 6.323 4.207 1.00 0.00 C HETATM 16 C UNL 1 -2.394 5.385 5.109 1.00 0.00 C HETATM 17 C UNL 1 -2.282 4.016 4.840 1.00 0.00 C HETATM 18 C UNL 1 -1.958 7.783 4.552 1.00 0.00 C HETATM 19 S UNL 1 1.880 1.381 2.200 1.00 0.00 S HETATM 20 C UNL 1 3.013 0.763 1.051 1.00 0.00 C HETATM 21 N UNL 1 2.507 0.515 -0.129 1.00 0.00 N HETATM 22 C UNL 1 4.426 0.532 1.301 1.00 0.00 C HETATM 23 N UNL 1 5.190 1.175 2.119 1.00 0.00 N HETATM 24 O UNL 1 4.912 -0.489 0.523 1.00 0.00 O HETATM 25 C UNL 1 6.327 -0.725 0.504 1.00 0.00 C HETATM 26 H UNL 1 0.824 -0.127 -2.090 1.00 0.00 H HETATM 27 H UNL 1 -1.587 -0.448 -1.752 1.00 0.00 H HETATM 28 H UNL 1 -3.986 -1.120 1.842 1.00 0.00 H HETATM 29 H UNL 1 -2.380 1.745 4.060 1.00 0.00 H HETATM 30 H UNL 1 -0.854 4.158 1.768 1.00 0.00 H HETATM 31 H UNL 1 -0.962 6.566 2.287 1.00 0.00 H HETATM 32 H UNL 1 -2.840 5.715 6.055 1.00 0.00 H HETATM 33 H UNL 1 -2.614 3.324 5.614 1.00 0.00 H HETATM 34 H UNL 1 -1.400 8.400 3.842 1.00 0.00 H HETATM 35 H UNL 1 -1.509 7.958 5.547 1.00 0.00 H HETATM 36 H UNL 1 -2.993 8.153 4.583 1.00 0.00 H HETATM 37 H UNL 1 4.641 1.912 2.579 1.00 0.00 H HETATM 38 H UNL 1 6.520 -1.578 -0.158 1.00 0.00 H HETATM 39 H UNL 1 6.703 -0.979 1.499 1.00 0.00 H HETATM 40 H UNL 1 6.852 0.142 0.093 1.00 0.00 H CONECT 1 2 6 21 CONECT 2 1 3 26 CONECT 3 2 4 27 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 19 CONECT 7 4 8 CONECT 8 7 9 28 CONECT 9 8 10 CONECT 10 9 5 11 CONECT 11 10 12 29 CONECT 12 11 13 17 CONECT 13 12 14 30 CONECT 14 13 15 31 CONECT 15 14 16 18 CONECT 16 15 17 32 CONECT 17 16 12 33 CONECT 18 15 34 35 36 CONECT 19 6 20 CONECT 20 19 21 22 CONECT 21 20 1 CONECT 22 20 23 24 CONECT 23 22 37 CONECT 24 22 25 CONECT 25 24 38 39 40 CONECT 26 2 CONECT 27 3 CONECT 28 8 CONECT 29 11 CONECT 30 13 CONECT 31 14 CONECT 32 16 CONECT 33 17 CONECT 34 18 CONECT 35 18 CONECT 36 18 CONECT 37 23 CONECT 38 25 CONECT 39 25 CONECT 40 25 MASTER 0 0 0 0 0 0 0 0 40 0 40 0 END M END $$$$