COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.526   1.594  -0.925  1.00  0.00           N  
HETATM    2  C   UNL     1       6.175   0.173  -0.814  1.00  0.00           C  
HETATM    3  C   UNL     1       4.654   0.023  -0.748  1.00  0.00           C  
HETATM    4  N   UNL     1       4.145   0.684   0.460  1.00  0.00           N  
HETATM    5  C   UNL     1       4.497   2.105   0.349  1.00  0.00           C  
HETATM    6  C   UNL     1       6.017   2.255   0.283  1.00  0.00           C  
HETATM    7  C   UNL     1       7.992   1.672  -0.864  1.00  0.00           C  
HETATM    8  C   UNL     1       2.762   0.610   0.402  1.00  0.00           C  
HETATM    9  C   UNL     1       2.118  -0.621   0.483  1.00  0.00           C  
HETATM   10  C   UNL     1       0.728  -0.647   0.420  1.00  0.00           C  
HETATM   11  N   UNL     1       0.064   0.499   0.286  1.00  0.00           N  
HETATM   12  C   UNL     1       0.711   1.653   0.212  1.00  0.00           C  
HETATM   13  N   UNL     1       2.033   1.716   0.274  1.00  0.00           N  
HETATM   14  N   UNL     1       0.043  -1.851   0.497  1.00  0.00           N  
HETATM   15  C   UNL     1       0.740  -3.055   0.423  1.00  0.00           C  
HETATM   16  C   UNL     1       1.928  -3.260  -0.210  1.00  0.00           C  
HETATM   17  C   UNL     1       2.277  -4.603  -0.041  1.00  0.00           C  
HETATM   18  N   UNL     1       1.339  -5.190   0.657  1.00  0.00           N  
HETATM   19  N   UNL     1       0.356  -4.240   0.964  1.00  0.00           N  
HETATM   20  C   UNL     1       3.521  -5.264  -0.577  1.00  0.00           C  
HETATM   21  S   UNL     1      -0.212   3.144   0.035  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.850   2.508   0.169  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.423   2.324   1.421  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.706   1.826   1.526  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.424   1.510   0.380  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.851   1.694  -0.871  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.570   2.196  -0.977  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.727   1.005   0.487  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.172   0.096  -0.403  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.414  -0.365  -1.230  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.612  -0.347  -0.370  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.057  -1.381  -1.407  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.899  -1.787   0.060  1.00  0.00           C  
HETATM   34  H   UNL     1       6.555  -0.364  -1.683  1.00  0.00           H  
HETATM   35  H   UNL     1       6.620  -0.241   0.091  1.00  0.00           H  
HETATM   36  H   UNL     1       4.395  -1.035  -0.719  1.00  0.00           H  
HETATM   37  H   UNL     1       4.206   0.482  -1.629  1.00  0.00           H  
HETATM   38  H   UNL     1       4.117   2.642   1.218  1.00  0.00           H  
HETATM   39  H   UNL     1       4.052   2.519  -0.556  1.00  0.00           H  
HETATM   40  H   UNL     1       6.466   1.796   1.164  1.00  0.00           H  
HETATM   41  H   UNL     1       6.277   3.313   0.254  1.00  0.00           H  
HETATM   42  H   UNL     1       8.345   1.165   0.034  1.00  0.00           H  
HETATM   43  H   UNL     1       8.419   1.192  -1.744  1.00  0.00           H  
HETATM   44  H   UNL     1       8.299   2.718  -0.835  1.00  0.00           H  
HETATM   45  H   UNL     1       2.683  -1.535   0.591  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.921  -1.854   0.602  1.00  0.00           H  
HETATM   47  H   UNL     1       2.502  -2.516  -0.743  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.454  -4.400   1.472  1.00  0.00           H  
HETATM   49  H   UNL     1       3.322  -5.658  -1.574  1.00  0.00           H  
HETATM   50  H   UNL     1       4.327  -4.532  -0.630  1.00  0.00           H  
HETATM   51  H   UNL     1       3.813  -6.079   0.085  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.864   2.570   2.312  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.152   1.683   2.499  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.410   1.447  -1.762  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.124   2.339  -1.951  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.308   1.310   1.201  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.333   0.418  -0.081  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.070  -1.297  -1.799  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.308  -1.741  -2.112  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.046  -2.414   0.319  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.808  -1.970   0.632  1.00  0.00           H  
CONECT    1    2    6    7                                            
CONECT    2    1    3   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6   38   39                                       
CONECT    6    1    5   40   41                                       
CONECT    7    1   42   43   44                                       
CONECT    8    4    9   13   13                                       
CONECT    9    8   10   10   45                                       
CONECT   10    9    9   11   14                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   21                                       
CONECT   13    8    8   12                                            
CONECT   14   10   15   46                                            
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17   47                                       
CONECT   17   16   18   18   20                                       
CONECT   18   17   17   19                                            
CONECT   19   15   18   48                                            
CONECT   20   17   49   50   51                                       
CONECT   21   12   22                                                 
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24   52                                       
CONECT   24   23   23   25   53                                       
CONECT   25   24   26   26   28                                       
CONECT   26   25   25   27   54                                       
CONECT   27   22   22   26   55                                       
CONECT   28   25   29   56                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   33   57                                       
CONECT   32   31   33   58   59                                       
CONECT   33   31   32   60   61                                       
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
