D01CJE AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.817 0.253 0.186 1.00 0.00 C HETATM 2 C UNL 1 3.093 -0.247 0.281 1.00 0.00 C HETATM 3 N UNL 1 4.209 0.457 -0.005 1.00 0.00 N HETATM 4 C UNL 1 4.044 1.713 -0.449 1.00 0.00 C HETATM 5 N UNL 1 2.816 2.293 -0.569 1.00 0.00 N HETATM 6 C UNL 1 1.708 1.550 -0.260 1.00 0.00 C HETATM 7 C UNL 1 0.383 2.145 -0.566 1.00 0.00 C HETATM 8 S UNL 1 0.298 3.340 -1.835 1.00 0.00 S HETATM 9 C UNL 1 -0.849 2.305 -2.624 1.00 0.00 C HETATM 10 N UNL 1 -1.370 1.383 -1.842 1.00 0.00 N HETATM 11 C UNL 1 -0.934 1.638 -0.563 1.00 0.00 C HETATM 12 C UNL 1 -2.055 1.856 0.416 1.00 0.00 C HETATM 13 N UNL 1 -1.171 2.506 -3.907 1.00 0.00 N HETATM 14 C UNL 1 -2.206 1.742 -4.540 1.00 0.00 C HETATM 15 F UNL 1 0.764 -0.514 0.491 1.00 0.00 F HETATM 16 N UNL 1 5.243 2.477 -0.577 1.00 0.00 N HETATM 17 C UNL 1 6.230 2.196 -1.588 1.00 0.00 C HETATM 18 C UNL 1 7.253 1.231 -1.433 1.00 0.00 C HETATM 19 C UNL 1 8.146 0.977 -2.495 1.00 0.00 C HETATM 20 C UNL 1 7.984 1.613 -3.727 1.00 0.00 C HETATM 21 C UNL 1 6.960 2.541 -3.889 1.00 0.00 C HETATM 22 C UNL 1 6.128 2.868 -2.813 1.00 0.00 C HETATM 23 S UNL 1 9.460 -0.212 -2.373 1.00 0.00 S HETATM 24 O UNL 1 9.728 -0.501 -0.986 1.00 0.00 O HETATM 25 O UNL 1 9.231 -1.244 -3.360 1.00 0.00 O HETATM 26 N UNL 1 10.809 0.627 -2.921 1.00 0.00 N HETATM 27 H UNL 1 3.261 -1.268 0.604 1.00 0.00 H HETATM 28 H UNL 1 -2.953 2.159 -0.141 1.00 0.00 H HETATM 29 H UNL 1 -1.848 2.665 1.121 1.00 0.00 H HETATM 30 H UNL 1 -2.319 0.943 0.956 1.00 0.00 H HETATM 31 H UNL 1 -0.786 3.304 -4.401 1.00 0.00 H HETATM 32 H UNL 1 -3.078 1.617 -3.886 1.00 0.00 H HETATM 33 H UNL 1 -1.840 0.753 -4.838 1.00 0.00 H HETATM 34 H UNL 1 -2.544 2.256 -5.440 1.00 0.00 H HETATM 35 H UNL 1 5.703 2.187 0.289 1.00 0.00 H HETATM 36 H UNL 1 7.342 0.663 -0.510 1.00 0.00 H HETATM 37 H UNL 1 8.636 1.374 -4.565 1.00 0.00 H HETATM 38 H UNL 1 6.794 2.995 -4.862 1.00 0.00 H HETATM 39 H UNL 1 5.385 3.653 -2.937 1.00 0.00 H HETATM 40 H UNL 1 11.537 0.639 -2.190 1.00 0.00 H HETATM 41 H UNL 1 11.157 0.216 -3.792 1.00 0.00 H CONECT 1 2 6 15 CONECT 2 1 3 27 CONECT 3 2 4 CONECT 4 3 5 16 CONECT 5 4 6 CONECT 6 5 1 7 CONECT 7 6 8 11 CONECT 8 7 9 CONECT 9 8 10 13 CONECT 10 9 11 CONECT 11 10 7 12 CONECT 12 11 28 29 30 CONECT 13 9 14 31 CONECT 14 13 32 33 34 CONECT 15 1 CONECT 16 4 17 35 CONECT 17 16 18 22 CONECT 18 17 19 36 CONECT 19 18 20 23 CONECT 20 19 21 37 CONECT 21 20 22 38 CONECT 22 21 17 39 CONECT 23 19 24 25 26 CONECT 24 23 CONECT 25 23 CONECT 26 23 40 41 CONECT 27 2 CONECT 28 12 CONECT 29 12 CONECT 30 12 CONECT 31 13 CONECT 32 14 CONECT 33 14 CONECT 34 14 CONECT 35 16 CONECT 36 18 CONECT 37 20 CONECT 38 21 CONECT 39 22 CONECT 40 26 CONECT 41 26 MASTER 0 0 0 0 0 0 0 0 41 0 41 0 END M END $$$$