D0T2LN AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.659 0.334 0.007 1.00 0.00 C HETATM 2 C UNL 1 0.914 -0.757 0.425 1.00 0.00 C HETATM 3 N UNL 1 -0.454 -0.586 0.478 1.00 0.00 N HETATM 4 C UNL 1 -0.745 0.629 0.103 1.00 0.00 C HETATM 5 S UNL 1 0.586 1.649 -0.261 1.00 0.00 S HETATM 6 C UNL 1 3.119 0.410 -0.320 1.00 0.00 C HETATM 7 N UNL 1 -1.945 1.249 -0.021 1.00 0.00 N HETATM 8 C UNL 1 -3.207 0.770 0.200 1.00 0.00 C HETATM 9 C UNL 1 -3.614 -0.623 0.347 1.00 0.00 C HETATM 10 O UNL 1 -4.063 1.668 0.267 1.00 0.00 O HETATM 11 C UNL 1 4.044 0.881 0.782 1.00 0.00 C HETATM 12 C UNL 1 4.823 -0.029 1.515 1.00 0.00 C HETATM 13 C UNL 1 5.785 0.423 2.428 1.00 0.00 C HETATM 14 C UNL 1 5.995 1.795 2.622 1.00 0.00 C HETATM 15 C UNL 1 5.210 2.703 1.897 1.00 0.00 C HETATM 16 C UNL 1 4.228 2.252 1.010 1.00 0.00 C HETATM 17 O UNL 1 -2.906 -1.734 -0.069 1.00 0.00 O HETATM 18 C UNL 1 -3.689 -2.851 0.179 1.00 0.00 C HETATM 19 C UNL 1 -4.887 -2.446 0.734 1.00 0.00 C HETATM 20 C UNL 1 -4.852 -1.043 0.810 1.00 0.00 C HETATM 21 C UNL 1 -3.181 -4.188 -0.183 1.00 0.00 C HETATM 22 C UNL 1 -2.005 -4.355 -0.926 1.00 0.00 C HETATM 23 C UNL 1 -1.546 -5.632 -1.291 1.00 0.00 C HETATM 24 C UNL 1 -2.244 -6.776 -0.906 1.00 0.00 C HETATM 25 C UNL 1 -3.423 -6.632 -0.172 1.00 0.00 C HETATM 26 C UNL 1 -3.893 -5.353 0.186 1.00 0.00 C HETATM 27 N UNL 1 -4.169 -7.838 0.230 1.00 0.00 N1+ HETATM 28 O UNL 1 -3.638 -8.939 0.018 1.00 0.00 O HETATM 29 O UNL 1 -5.280 -7.677 0.749 1.00 0.00 O1- HETATM 30 C UNL 1 7.048 2.313 3.572 1.00 0.00 C HETATM 31 F UNL 1 7.530 1.366 4.425 1.00 0.00 F HETATM 32 F UNL 1 8.135 2.820 2.925 1.00 0.00 F HETATM 33 F UNL 1 6.584 3.322 4.363 1.00 0.00 F HETATM 34 H UNL 1 1.326 -1.731 0.661 1.00 0.00 H HETATM 35 H UNL 1 3.276 1.055 -1.196 1.00 0.00 H HETATM 36 H UNL 1 3.449 -0.584 -0.652 1.00 0.00 H HETATM 37 H UNL 1 -1.915 2.250 -0.161 1.00 0.00 H HETATM 38 H UNL 1 4.709 -1.101 1.361 1.00 0.00 H HETATM 39 H UNL 1 6.382 -0.305 2.978 1.00 0.00 H HETATM 40 H UNL 1 5.368 3.774 2.016 1.00 0.00 H HETATM 41 H UNL 1 3.630 2.984 0.471 1.00 0.00 H HETATM 42 H UNL 1 -5.711 -3.083 1.023 1.00 0.00 H HETATM 43 H UNL 1 -5.638 -0.381 1.148 1.00 0.00 H HETATM 44 H UNL 1 -1.436 -3.483 -1.243 1.00 0.00 H HETATM 45 H UNL 1 -0.642 -5.730 -1.887 1.00 0.00 H HETATM 46 H UNL 1 -1.866 -7.757 -1.190 1.00 0.00 H HETATM 47 H UNL 1 -4.821 -5.268 0.749 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 34 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 1 CONECT 6 1 11 35 36 CONECT 7 4 8 37 CONECT 8 7 9 10 CONECT 9 8 17 20 CONECT 10 8 CONECT 11 6 12 16 CONECT 12 11 13 38 CONECT 13 12 14 39 CONECT 14 13 15 30 CONECT 15 14 16 40 CONECT 16 15 11 41 CONECT 17 9 18 CONECT 18 17 19 21 CONECT 19 18 20 42 CONECT 20 19 9 43 CONECT 21 18 22 26 CONECT 22 21 23 44 CONECT 23 22 24 45 CONECT 24 23 25 46 CONECT 25 24 26 27 CONECT 26 25 21 47 CONECT 27 25 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 14 31 32 33 CONECT 31 30 CONECT 32 30 CONECT 33 30 CONECT 34 2 CONECT 35 6 CONECT 36 6 CONECT 37 7 CONECT 38 12 CONECT 39 13 CONECT 40 15 CONECT 41 16 CONECT 42 19 CONECT 43 20 CONECT 44 22 CONECT 45 23 CONECT 46 24 CONECT 47 26 MASTER 0 0 0 0 0 0 0 0 47 0 47 0 END M END $$$$