D08JES AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 3.244 -0.576 0.443 1.00 0.00 N HETATM 2 C UNL 1 2.301 -1.534 0.976 1.00 0.00 C HETATM 3 N UNL 1 2.878 -2.582 1.695 1.00 0.00 N HETATM 4 C UNL 1 2.193 -3.388 2.679 1.00 0.00 C HETATM 5 O UNL 1 1.088 -1.397 0.796 1.00 0.00 O HETATM 6 C UNL 1 0.811 -3.446 2.801 1.00 0.00 C HETATM 7 C UNL 1 0.243 -2.858 3.923 1.00 0.00 C HETATM 8 C UNL 1 1.108 -2.259 4.825 1.00 0.00 C HETATM 9 C UNL 1 2.389 -2.781 4.943 1.00 0.00 C HETATM 10 C UNL 1 2.907 -3.483 3.868 1.00 0.00 C HETATM 11 C UNL 1 4.673 -0.813 0.292 1.00 0.00 C HETATM 12 C UNL 1 5.541 0.394 -0.200 1.00 0.00 C HETATM 13 N UNL 1 4.926 1.155 -1.282 1.00 0.00 N HETATM 14 C UNL 1 3.515 1.518 -1.043 1.00 0.00 C HETATM 15 C UNL 1 2.638 0.384 -0.488 1.00 0.00 C HETATM 16 C UNL 1 5.729 2.119 -1.904 1.00 0.00 C HETATM 17 S UNL 1 5.130 3.147 -3.205 1.00 0.00 S HETATM 18 N UNL 1 6.542 3.980 -3.382 1.00 0.00 N HETATM 19 C UNL 1 7.432 3.463 -2.542 1.00 0.00 C HETATM 20 N UNL 1 6.998 2.406 -1.690 1.00 0.00 N HETATM 21 C UNL 1 8.835 3.982 -2.539 1.00 0.00 C HETATM 22 C UNL 1 9.224 5.099 -3.311 1.00 0.00 C HETATM 23 C UNL 1 10.538 5.595 -3.296 1.00 0.00 C HETATM 24 C UNL 1 11.525 4.882 -2.635 1.00 0.00 C HETATM 25 C UNL 1 11.184 3.696 -1.990 1.00 0.00 C HETATM 26 C UNL 1 9.839 3.326 -1.829 1.00 0.00 C HETATM 27 H UNL 1 3.829 -2.406 1.960 1.00 0.00 H HETATM 28 H UNL 1 0.186 -3.881 2.029 1.00 0.00 H HETATM 29 H UNL 1 -0.833 -2.789 4.050 1.00 0.00 H HETATM 30 H UNL 1 0.830 -1.345 5.337 1.00 0.00 H HETATM 31 H UNL 1 3.015 -2.535 5.794 1.00 0.00 H HETATM 32 H UNL 1 3.945 -3.788 3.881 1.00 0.00 H HETATM 33 H UNL 1 4.772 -1.644 -0.397 1.00 0.00 H HETATM 34 H UNL 1 5.082 -1.136 1.258 1.00 0.00 H HETATM 35 H UNL 1 6.492 -0.028 -0.514 1.00 0.00 H HETATM 36 H UNL 1 5.740 1.056 0.653 1.00 0.00 H HETATM 37 H UNL 1 3.039 1.827 -1.979 1.00 0.00 H HETATM 38 H UNL 1 3.483 2.379 -0.364 1.00 0.00 H HETATM 39 H UNL 1 1.760 0.845 0.004 1.00 0.00 H HETATM 40 H UNL 1 2.240 -0.205 -1.323 1.00 0.00 H HETATM 41 H UNL 1 8.500 5.596 -3.964 1.00 0.00 H HETATM 42 H UNL 1 10.793 6.502 -3.844 1.00 0.00 H HETATM 43 H UNL 1 12.556 5.230 -2.640 1.00 0.00 H HETATM 44 H UNL 1 11.969 3.028 -1.649 1.00 0.00 H HETATM 45 H UNL 1 9.596 2.489 -1.179 1.00 0.00 H CONECT 1 2 11 15 CONECT 2 1 3 5 CONECT 3 2 4 27 CONECT 4 3 6 10 CONECT 5 2 CONECT 6 4 7 28 CONECT 7 6 8 29 CONECT 8 7 9 30 CONECT 9 8 10 31 CONECT 10 9 4 32 CONECT 11 1 12 33 34 CONECT 12 11 13 35 36 CONECT 13 12 14 16 CONECT 14 13 15 37 38 CONECT 15 14 1 39 40 CONECT 16 13 17 20 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 21 CONECT 20 19 16 CONECT 21 19 22 26 CONECT 22 21 23 41 CONECT 23 22 24 42 CONECT 24 23 25 43 CONECT 25 24 26 44 CONECT 26 25 21 45 CONECT 27 3 CONECT 28 6 CONECT 29 7 CONECT 30 8 CONECT 31 9 CONECT 32 10 CONECT 33 11 CONECT 34 11 CONECT 35 12 CONECT 36 12 CONECT 37 14 CONECT 38 14 CONECT 39 15 CONECT 40 15 CONECT 41 22 CONECT 42 23 CONECT 43 24 CONECT 44 25 CONECT 45 26 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$