COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.201   0.263  -0.022  1.00  0.00           C  
HETATM    2  C   UNL     1       1.236  -1.102  -0.273  1.00  0.00           C  
HETATM    3  C   UNL     1       4.738  -0.256  -0.340  1.00  0.00           C  
HETATM    4  C   UNL     1       5.879  -0.999  -0.099  1.00  0.00           C  
HETATM    5  C   UNL     1       6.807  -0.562   0.826  1.00  0.00           C  
HETATM    6  C   UNL     1       6.594   0.624   1.514  1.00  0.00           C  
HETATM    7  C   UNL     1       7.220   2.286   3.094  1.00  0.00           C  
HETATM    8  C   UNL     1       5.449   1.368   1.270  1.00  0.00           C  
HETATM    9  C   UNL     1       4.526   0.929   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       2.671  -3.121  -0.415  1.00  0.00           C  
HETATM   11  C   UNL     1       2.030  -3.966  -1.486  1.00  0.00           C  
HETATM   12  C   UNL     1       0.090  -1.869  -0.105  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.086  -1.272   0.315  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.076  -3.435   0.310  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.433  -4.083   0.417  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.252  -4.159  -0.695  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.496  -4.753  -0.597  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.922  -5.271   0.613  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.102  -5.194   1.724  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.564   0.880   2.430  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.913   2.155   2.903  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.118   0.097   0.567  1.00  0.00           C  
HETATM   23  C   UNL     1       0.028   0.859   0.403  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.856  -4.606   1.624  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.942   2.836  -0.623  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.328   3.937   0.119  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.948   5.205  -0.276  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.178   5.373  -1.418  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.106   6.727  -3.052  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.792   4.266  -2.160  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.175   3.000  -1.761  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.308   0.704   0.998  1.00  0.00           N  
HETATM   33  N   UNL     1       2.426  -1.705  -0.698  1.00  0.00           N  
HETATM   34  O   UNL     1      -4.649   1.369   0.591  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.016   2.523   4.189  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.299   2.845   2.124  1.00  0.00           O  
HETATM   37  O   UNL     1       7.505   1.056   2.424  1.00  0.00           O  
HETATM   38  O   UNL     1       2.886   0.342  -1.998  1.00  0.00           O  
HETATM   39  O   UNL     1       4.240  -1.727  -2.371  1.00  0.00           O  
HETATM   40  O   UNL     1       2.126  -5.303  -1.433  1.00  0.00           O  
HETATM   41  O   UNL     1       1.430  -3.438  -2.393  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.209  -2.022   0.480  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.803   6.619  -1.809  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.276   0.379  -1.249  1.00  0.00           O  
HETATM   45  S   UNL     1      -3.424   1.219  -0.112  1.00  0.00           S  
HETATM   46  S   UNL     1       3.556  -0.817  -1.520  1.00  0.00           S  
HETATM   47  H   UNL     1       2.092   0.859  -0.153  1.00  0.00           H  
HETATM   48  H   UNL     1       6.044  -1.923  -0.634  1.00  0.00           H  
HETATM   49  H   UNL     1       7.698  -1.143   1.014  1.00  0.00           H  
HETATM   50  H   UNL     1       7.136   3.088   2.361  1.00  0.00           H  
HETATM   51  H   UNL     1       6.282   2.193   3.641  1.00  0.00           H  
HETATM   52  H   UNL     1       8.026   2.515   3.792  1.00  0.00           H  
HETATM   53  H   UNL     1       5.280   2.291   1.804  1.00  0.00           H  
HETATM   54  H   UNL     1       3.634   1.508   0.150  1.00  0.00           H  
HETATM   55  H   UNL     1       2.243  -3.377   0.554  1.00  0.00           H  
HETATM   56  H   UNL     1       3.744  -3.308  -0.398  1.00  0.00           H  
HETATM   57  H   UNL     1       0.118  -2.931  -0.301  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.421  -3.834   1.084  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.650  -3.644  -0.671  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.919  -3.754  -1.639  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.136  -4.813  -1.465  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.894  -5.734   0.689  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.435  -5.598   2.668  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.150   0.035   2.980  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.638   0.935   2.603  1.00  0.00           H  
HETATM   66  H   UNL     1       0.003   1.921   0.599  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.216  -4.546   2.492  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.927   3.806   1.008  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.250   6.065   0.303  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.228   6.080  -3.033  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.764   6.422  -3.865  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.793   7.760  -3.204  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.193   4.394  -3.049  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.871   2.138  -2.336  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.582   3.349   4.445  1.00  0.00           H  
HETATM   76  H   UNL     1       1.699  -5.803  -2.142  1.00  0.00           H  
CONECT    1   23    2    2   47                                       
CONECT    2    1    1   12   33                                       
CONECT    3    9    9    4   46                                       
CONECT    4    5    5    3   48                                       
CONECT    5    6    4    4   49                                       
CONECT    6   37    8    8    5                                       
CONECT    7   37   50   51   52                                       
CONECT    8    6    6    9   53                                       
CONECT    9    8    3    3   54                                       
CONECT   10   33   11   55   56                                       
CONECT   11   10   41   41   40                                       
CONECT   12   13   13    2   57                                       
CONECT   13   22   42   12   12                                       
CONECT   14   42   15   58   59                                       
CONECT   15   16   16   24   14                                       
CONECT   16   17   15   15   60                                       
CONECT   17   18   18   16   61                                       
CONECT   18   17   17   19   62                                       
CONECT   19   18   24   24   63                                       
CONECT   20   32   21   64   65                                       
CONECT   21   20   36   36   35                                       
CONECT   22   32   23   23   13                                       
CONECT   23   22   22    1   66                                       
CONECT   24   19   19   15   67                                       
CONECT   25   26   31   31   45                                       
CONECT   26   27   27   25   68                                       
CONECT   27   26   26   28   69                                       
CONECT   28   27   43   30   30                                       
CONECT   29   43   70   71   72                                       
CONECT   30   28   28   31   73                                       
CONECT   31   25   25   30   74                                       
CONECT   32   45   20   22                                            
CONECT   33    2   46   10                                            
CONECT   34   45   45                                                 
CONECT   35   21   75                                                 
CONECT   36   21   21                                                 
CONECT   37    7    6                                                 
CONECT   38   46   46                                                 
CONECT   39   46   46                                                 
CONECT   40   11   76                                                 
CONECT   41   11   11                                                 
CONECT   42   13   14                                                 
CONECT   43   29   28                                                 
CONECT   44   45   45                                                 
CONECT   45   34   34   25   44                                       
CONECT   45   44   32                                                 
CONECT   46    3   39   39   33                                       
CONECT   46   38   38                                                 
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   35                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
