D04IGE AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.512 4.065 0.151 1.00 0.00 C HETATM 2 C UNL 1 1.292 5.658 0.127 1.00 0.00 C HETATM 3 O UNL 1 -0.013 6.120 0.549 1.00 0.00 O HETATM 4 C UNL 1 -1.109 5.381 0.267 1.00 0.00 C HETATM 5 C UNL 1 -1.074 3.999 0.285 1.00 0.00 C HETATM 6 C UNL 1 0.221 3.246 0.411 1.00 0.00 C HETATM 7 C UNL 1 -2.299 6.097 0.107 1.00 0.00 C HETATM 8 C UNL 1 -3.501 5.405 0.062 1.00 0.00 C HETATM 9 C UNL 1 -3.521 4.022 0.212 1.00 0.00 C HETATM 10 C UNL 1 -2.310 3.315 0.276 1.00 0.00 C HETATM 11 O UNL 1 -4.679 6.150 -0.095 1.00 0.00 O HETATM 12 C UNL 1 -5.924 5.531 -0.079 1.00 0.00 C HETATM 13 C UNL 1 -5.942 4.090 0.240 1.00 0.00 C HETATM 14 C UNL 1 -4.823 3.375 0.364 1.00 0.00 C HETATM 15 O UNL 1 -6.962 6.141 -0.307 1.00 0.00 O HETATM 16 C UNL 1 1.391 6.198 -1.332 1.00 0.00 C HETATM 17 C UNL 1 2.195 6.543 0.989 1.00 0.00 C HETATM 18 O UNL 1 2.765 3.379 0.636 1.00 0.00 O HETATM 19 C UNL 1 2.904 2.789 1.869 1.00 0.00 C HETATM 20 O UNL 1 2.221 3.106 2.840 1.00 0.00 O HETATM 21 C UNL 1 3.957 1.695 1.985 1.00 0.00 C HETATM 22 C UNL 1 4.239 0.709 1.107 1.00 0.00 C HETATM 23 C UNL 1 3.590 0.336 -0.174 1.00 0.00 C HETATM 24 C UNL 1 4.646 1.504 3.330 1.00 0.00 C HETATM 25 H UNL 1 1.688 3.871 -0.917 1.00 0.00 H HETATM 26 H UNL 1 0.246 2.760 1.388 1.00 0.00 H HETATM 27 H UNL 1 0.207 2.435 -0.333 1.00 0.00 H HETATM 28 H UNL 1 -2.292 7.181 0.060 1.00 0.00 H HETATM 29 H UNL 1 -2.324 2.237 0.375 1.00 0.00 H HETATM 30 H UNL 1 -6.924 3.653 0.384 1.00 0.00 H HETATM 31 H UNL 1 -4.858 2.328 0.639 1.00 0.00 H HETATM 32 H UNL 1 0.817 5.573 -2.027 1.00 0.00 H HETATM 33 H UNL 1 2.424 6.254 -1.683 1.00 0.00 H HETATM 34 H UNL 1 0.944 7.200 -1.414 1.00 0.00 H HETATM 35 H UNL 1 2.053 6.342 2.055 1.00 0.00 H HETATM 36 H UNL 1 1.884 7.597 0.866 1.00 0.00 H HETATM 37 H UNL 1 3.251 6.490 0.724 1.00 0.00 H HETATM 38 H UNL 1 5.000 -0.023 1.401 1.00 0.00 H HETATM 39 H UNL 1 2.575 0.724 -0.246 1.00 0.00 H HETATM 40 H UNL 1 3.527 -0.759 -0.227 1.00 0.00 H HETATM 41 H UNL 1 4.197 0.670 -1.017 1.00 0.00 H HETATM 42 H UNL 1 4.389 2.248 4.082 1.00 0.00 H HETATM 43 H UNL 1 5.741 1.497 3.214 1.00 0.00 H HETATM 44 H UNL 1 4.384 0.515 3.749 1.00 0.00 H CONECT 1 2 6 18 25 CONECT 2 1 3 16 17 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 26 27 CONECT 7 4 8 28 CONECT 8 7 9 11 CONECT 9 8 10 14 CONECT 10 9 5 29 CONECT 11 8 12 CONECT 12 11 13 15 CONECT 13 12 14 30 CONECT 14 13 9 31 CONECT 15 12 CONECT 16 2 32 33 34 CONECT 17 2 35 36 37 CONECT 18 1 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 24 CONECT 22 21 23 38 CONECT 23 22 39 40 41 CONECT 24 21 42 43 44 CONECT 25 1 CONECT 26 6 CONECT 27 6 CONECT 28 7 CONECT 29 10 CONECT 30 13 CONECT 31 14 CONECT 32 16 CONECT 33 16 CONECT 34 16 CONECT 35 17 CONECT 36 17 CONECT 37 17 CONECT 38 22 CONECT 39 23 CONECT 40 23 CONECT 41 23 CONECT 42 24 CONECT 43 24 CONECT 44 24 MASTER 0 0 0 0 0 0 0 0 44 0 44 0 END M END $$$$