COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 O UNL 1 -3.272 0.287 1.089 1.00 0.00 O HETATM 2 C UNL 1 -3.957 -0.127 0.178 1.00 0.00 C HETATM 3 C UNL 1 -5.278 0.528 -0.131 1.00 0.00 C HETATM 4 N UNL 1 -5.704 1.392 1.000 1.00 0.00 N HETATM 5 C UNL 1 -6.661 2.349 0.388 1.00 0.00 C HETATM 6 C UNL 1 -6.044 2.693 -0.984 1.00 0.00 C HETATM 7 C UNL 1 -5.134 1.495 -1.326 1.00 0.00 C HETATM 8 N UNL 1 -3.533 -1.170 -0.563 1.00 0.00 N HETATM 9 C UNL 1 -2.255 -1.705 -0.353 1.00 0.00 C HETATM 10 C UNL 1 -2.038 -3.070 -0.528 1.00 0.00 C HETATM 11 C UNL 1 -0.787 -3.609 -0.324 1.00 0.00 C HETATM 12 C UNL 1 -1.215 -0.875 0.020 1.00 0.00 C HETATM 13 C UNL 1 0.058 -1.410 0.229 1.00 0.00 C HETATM 14 C UNL 1 0.266 -2.789 0.057 1.00 0.00 C HETATM 15 N UNL 1 1.603 -3.009 0.332 1.00 0.00 N HETATM 16 C UNL 1 2.154 -1.808 0.651 1.00 0.00 C HETATM 17 C UNL 1 3.598 -1.590 1.021 1.00 0.00 C HETATM 18 C UNL 1 4.196 -0.543 0.118 1.00 0.00 C HETATM 19 C UNL 1 4.883 -0.762 -1.014 1.00 0.00 C HETATM 20 N UNL 1 5.264 0.431 -1.567 1.00 0.00 N HETATM 21 C UNL 1 4.821 1.473 -0.784 1.00 0.00 C HETATM 22 C UNL 1 4.928 2.856 -0.880 1.00 0.00 C HETATM 23 C UNL 1 4.361 3.655 0.089 1.00 0.00 C HETATM 24 C UNL 1 3.683 3.094 1.162 1.00 0.00 C HETATM 25 C UNL 1 3.566 1.738 1.276 1.00 0.00 C HETATM 26 C UNL 1 4.132 0.909 0.306 1.00 0.00 C HETATM 27 N UNL 1 1.251 -0.872 0.592 1.00 0.00 N HETATM 28 H UNL 1 -6.036 -0.226 -0.342 1.00 0.00 H HETATM 29 H UNL 1 -4.916 1.877 1.402 1.00 0.00 H HETATM 30 H UNL 1 -7.637 1.881 0.259 1.00 0.00 H HETATM 31 H UNL 1 -6.747 3.246 1.002 1.00 0.00 H HETATM 32 H UNL 1 -6.826 2.800 -1.735 1.00 0.00 H HETATM 33 H UNL 1 -5.456 3.608 -0.916 1.00 0.00 H HETATM 34 H UNL 1 -4.099 1.822 -1.425 1.00 0.00 H HETATM 35 H UNL 1 -5.469 1.014 -2.244 1.00 0.00 H HETATM 36 H UNL 1 -4.112 -1.550 -1.242 1.00 0.00 H HETATM 37 H UNL 1 -2.856 -3.710 -0.824 1.00 0.00 H HETATM 38 H UNL 1 -0.626 -4.668 -0.460 1.00 0.00 H HETATM 39 H UNL 1 -1.386 0.184 0.150 1.00 0.00 H HETATM 40 H UNL 1 2.063 -3.863 0.302 1.00 0.00 H HETATM 41 H UNL 1 3.662 -1.257 2.057 1.00 0.00 H HETATM 42 H UNL 1 4.147 -2.525 0.906 1.00 0.00 H HETATM 43 H UNL 1 5.102 -1.735 -1.427 1.00 0.00 H HETATM 44 H UNL 1 5.772 0.527 -2.388 1.00 0.00 H HETATM 45 H UNL 1 5.454 3.302 -1.711 1.00 0.00 H HETATM 46 H UNL 1 4.446 4.729 0.013 1.00 0.00 H HETATM 47 H UNL 1 3.245 3.735 1.913 1.00 0.00 H HETATM 48 H UNL 1 3.037 1.308 2.114 1.00 0.00 H CONECT 1 2 2 CONECT 2 1 1 8 3 CONECT 3 4 2 7 28 CONECT 4 5 3 29 CONECT 5 4 6 30 31 CONECT 6 5 7 32 33 CONECT 7 3 6 34 35 CONECT 8 9 2 36 CONECT 9 12 8 10 10 CONECT 10 9 9 11 37 CONECT 11 14 14 10 38 CONECT 12 13 13 9 39 CONECT 13 27 12 12 14 CONECT 14 13 15 11 11 CONECT 15 16 14 40 CONECT 16 17 27 27 15 CONECT 17 18 16 41 42 CONECT 18 19 19 26 17 CONECT 19 20 18 18 43 CONECT 20 19 21 44 CONECT 21 20 22 22 26 CONECT 22 21 21 23 45 CONECT 23 22 24 24 46 CONECT 24 23 23 25 47 CONECT 25 26 26 24 48 CONECT 26 21 18 25 25 CONECT 27 16 16 13 CONECT 28 3 CONECT 29 4 CONECT 30 5 CONECT 31 5 CONECT 32 6 CONECT 33 6 CONECT 34 7 CONECT 35 7 CONECT 36 8 CONECT 37 10 CONECT 38 11 CONECT 39 12 CONECT 40 15 CONECT 41 17 CONECT 42 17 CONECT 43 19 CONECT 44 20 CONECT 45 22 CONECT 46 23 CONECT 47 24 CONECT 48 25 MASTER 0 0 0 0 0 0 0 0 48 0 48 0 END