D0OQ2S AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.379 3.237 -2.152 1.00 0.00 C HETATM 2 C UNL 1 3.158 4.000 -3.040 1.00 0.00 C HETATM 3 C UNL 1 4.563 3.940 -2.863 1.00 0.00 C HETATM 4 C UNL 1 5.170 3.155 -1.870 1.00 0.00 C HETATM 5 C UNL 1 4.355 2.372 -1.054 1.00 0.00 C HETATM 6 C UNL 1 2.967 2.426 -1.175 1.00 0.00 C HETATM 7 N UNL 1 6.601 3.053 -1.730 1.00 0.00 N HETATM 8 C UNL 1 7.126 1.787 -1.179 1.00 0.00 C HETATM 9 C UNL 1 6.079 0.921 -0.472 1.00 0.00 C HETATM 10 O UNL 1 4.864 1.562 -0.075 1.00 0.00 O HETATM 11 C UNL 1 2.552 4.743 -4.173 1.00 0.00 C HETATM 12 C UNL 1 1.322 4.385 -4.762 1.00 0.00 C HETATM 13 C UNL 1 0.900 4.952 -5.973 1.00 0.00 C HETATM 14 C UNL 1 1.715 5.891 -6.589 1.00 0.00 C HETATM 15 N UNL 1 2.845 6.343 -6.015 1.00 0.00 N HETATM 16 C UNL 1 3.218 5.782 -4.834 1.00 0.00 C HETATM 17 C UNL 1 1.454 6.322 -8.000 1.00 0.00 C HETATM 18 S UNL 1 7.622 4.411 -1.581 1.00 0.00 S HETATM 19 C UNL 1 7.662 4.833 0.155 1.00 0.00 C HETATM 20 C UNL 1 8.861 5.215 0.783 1.00 0.00 C HETATM 21 C UNL 1 8.865 5.628 2.136 1.00 0.00 C HETATM 22 C UNL 1 7.662 5.539 2.858 1.00 0.00 C HETATM 23 C UNL 1 6.517 5.007 2.265 1.00 0.00 C HETATM 24 C UNL 1 6.487 4.752 0.887 1.00 0.00 C HETATM 25 N UNL 1 7.287 5.892 4.144 1.00 0.00 N HETATM 26 C UNL 1 6.045 5.375 4.428 1.00 0.00 C HETATM 27 C UNL 1 5.574 4.771 3.295 1.00 0.00 C HETATM 28 C UNL 1 8.010 6.710 5.098 1.00 0.00 C HETATM 29 O UNL 1 8.958 3.960 -1.926 1.00 0.00 O HETATM 30 O UNL 1 7.033 5.546 -2.261 1.00 0.00 O HETATM 31 H UNL 1 1.292 3.240 -2.215 1.00 0.00 H HETATM 32 H UNL 1 5.221 4.478 -3.552 1.00 0.00 H HETATM 33 H UNL 1 2.340 1.814 -0.530 1.00 0.00 H HETATM 34 H UNL 1 7.954 1.969 -0.488 1.00 0.00 H HETATM 35 H UNL 1 7.549 1.213 -2.014 1.00 0.00 H HETATM 36 H UNL 1 5.833 0.048 -1.083 1.00 0.00 H HETATM 37 H UNL 1 6.531 0.522 0.447 1.00 0.00 H HETATM 38 H UNL 1 0.702 3.602 -4.335 1.00 0.00 H HETATM 39 H UNL 1 -0.022 4.617 -6.442 1.00 0.00 H HETATM 40 H UNL 1 4.148 6.191 -4.446 1.00 0.00 H HETATM 41 H UNL 1 0.386 6.373 -8.218 1.00 0.00 H HETATM 42 H UNL 1 1.920 5.603 -8.683 1.00 0.00 H HETATM 43 H UNL 1 1.892 7.308 -8.190 1.00 0.00 H HETATM 44 H UNL 1 9.790 5.218 0.228 1.00 0.00 H HETATM 45 H UNL 1 9.790 5.959 2.606 1.00 0.00 H HETATM 46 H UNL 1 5.548 4.483 0.426 1.00 0.00 H HETATM 47 H UNL 1 5.600 5.484 5.406 1.00 0.00 H HETATM 48 H UNL 1 4.636 4.231 3.194 1.00 0.00 H HETATM 49 H UNL 1 9.069 6.734 4.860 1.00 0.00 H HETATM 50 H UNL 1 7.862 6.277 6.097 1.00 0.00 H HETATM 51 H UNL 1 7.581 7.717 5.075 1.00 0.00 H CONECT 1 2 6 31 CONECT 2 1 3 11 CONECT 3 2 4 32 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 33 CONECT 7 4 8 18 CONECT 8 7 9 34 35 CONECT 9 8 10 36 37 CONECT 10 9 5 CONECT 11 2 12 16 CONECT 12 11 13 38 CONECT 13 12 14 39 CONECT 14 13 15 17 CONECT 15 14 16 CONECT 16 15 11 40 CONECT 17 14 41 42 43 CONECT 18 7 19 29 30 CONECT 19 18 20 24 CONECT 20 19 21 44 CONECT 21 20 22 45 CONECT 22 21 23 25 CONECT 23 22 24 27 CONECT 24 23 19 46 CONECT 25 22 26 28 CONECT 26 25 27 47 CONECT 27 26 23 48 CONECT 28 25 49 50 51 CONECT 29 18 CONECT 30 18 CONECT 31 1 CONECT 32 3 CONECT 33 6 CONECT 34 8 CONECT 35 8 CONECT 36 9 CONECT 37 9 CONECT 38 12 CONECT 39 13 CONECT 40 16 CONECT 41 17 CONECT 42 17 CONECT 43 17 CONECT 44 20 CONECT 45 21 CONECT 46 24 CONECT 47 26 CONECT 48 27 CONECT 49 28 CONECT 50 28 CONECT 51 28 MASTER 0 0 0 0 0 0 0 0 51 0 51 0 END M END $$$$