COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.891  -1.600  -0.775  1.00  0.00           C  
HETATM    2  C   UNL     1       1.399  -4.103   0.107  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.264   1.922   0.802  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.943  -1.692  -1.972  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.208  -0.522  -2.923  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.025   1.817  -1.177  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.800  -0.072  -0.083  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.290   2.336  -0.602  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.095  -0.492   0.528  1.00  0.00           C  
HETATM   10  C   UNL     1       6.593   0.710  -1.316  1.00  0.00           C  
HETATM   11  C   UNL     1       7.908   0.520  -0.943  1.00  0.00           C  
HETATM   12  C   UNL     1       1.299  -0.276   0.126  1.00  0.00           C  
HETATM   13  C   UNL     1       1.752  -1.679  -0.280  1.00  0.00           C  
HETATM   14  C   UNL     1       0.952  -2.720   0.507  1.00  0.00           C  
HETATM   15  C   UNL     1       7.587   2.027   0.913  1.00  0.00           C  
HETATM   16  C   UNL     1       6.274   2.209   0.530  1.00  0.00           C  
HETATM   17  C   UNL     1       9.824   0.979   0.584  1.00  0.00           C  
HETATM   18  C   UNL     1       2.168   0.749  -0.555  1.00  0.00           C  
HETATM   19  C   UNL     1       4.343   1.756  -0.996  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.841  -0.957   1.619  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.096  -0.078  -0.276  1.00  0.00           N  
HETATM   22  O   UNL     1       1.672   1.565  -1.303  1.00  0.00           O  
HETATM   23  N   UNL     1       3.498   0.760  -0.334  1.00  0.00           N  
HETATM   24  C   UNL     1       8.414   1.179   0.177  1.00  0.00           C  
HETATM   25  C   UNL     1       5.778   1.553  -0.582  1.00  0.00           C  
HETATM   26  N   UNL     1      10.594   0.186  -0.105  1.00  0.00           N  
HETATM   27  O   UNL     1       2.271  -4.242  -0.724  1.00  0.00           O  
HETATM   28  N   UNL     1       0.829  -5.185   0.674  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.408  -0.314   1.240  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.526  -0.378   0.072  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.762  -2.866   0.075  1.00  0.00           C  
HETATM   32  S   UNL     1      -4.753   0.651   1.210  1.00  0.00           S  
HETATM   33  O   UNL     1      -5.344   0.470   2.490  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.032   0.777  -0.266  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.154   2.596  -1.345  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.297   1.296   0.309  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.168   0.517   0.477  1.00  0.00           C  
HETATM   38  N   UNL     1      10.321   1.631   1.691  1.00  0.00           N  
HETATM   39  H   UNL     1      -3.917  -1.503  -1.130  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.911  -1.649  -1.623  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.110  -2.632  -2.497  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.211  -0.613  -3.340  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.125   0.417  -2.376  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.476  -0.538  -3.730  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.136   2.023  -1.754  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.245  -0.113  -1.020  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.095  -1.080   0.210  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.173   2.945  -0.733  1.00  0.00           H  
HETATM   49  H   UNL     1       6.202   0.204  -2.186  1.00  0.00           H  
HETATM   50  H   UNL     1       8.544  -0.138  -1.516  1.00  0.00           H  
HETATM   51  H   UNL     1       1.384  -0.164   1.207  1.00  0.00           H  
HETATM   52  H   UNL     1       1.583  -1.822  -1.347  1.00  0.00           H  
HETATM   53  H   UNL     1       2.813  -1.796  -0.061  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.109  -2.604   0.288  1.00  0.00           H  
HETATM   55  H   UNL     1       1.121  -2.578   1.574  1.00  0.00           H  
HETATM   56  H   UNL     1       7.973   2.540   1.781  1.00  0.00           H  
HETATM   57  H   UNL     1       5.632   2.865   1.099  1.00  0.00           H  
HETATM   58  H   UNL     1       4.257   1.645  -2.077  1.00  0.00           H  
HETATM   59  H   UNL     1       4.020   2.756  -0.707  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.301   0.352  -1.122  1.00  0.00           H  
HETATM   61  H   UNL     1       3.895   0.108   0.264  1.00  0.00           H  
HETATM   62  H   UNL     1      11.517   0.055   0.162  1.00  0.00           H  
HETATM   63  H   UNL     1       0.132  -5.074   1.339  1.00  0.00           H  
HETATM   64  H   UNL     1       1.117  -6.075   0.417  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.203  -0.836   2.032  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.647   0.526  -0.525  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.767  -2.907   0.518  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.511  -2.849   0.867  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.917  -3.743  -0.553  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.149   3.409  -2.056  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.185   1.092   0.890  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.173  -0.295   1.189  1.00  0.00           H  
HETATM   73  H   UNL     1       9.747   2.222   2.204  1.00  0.00           H  
HETATM   74  H   UNL     1      11.244   1.500   1.957  1.00  0.00           H  
CONECT    1    4   30   31   39                                       
CONECT    2   14   27   27   28                                       
CONECT    3   32   32                                                 
CONECT    4    1    5   40   41                                       
CONECT    5    4   42   43   44                                       
CONECT    6   34   34   35   45                                       
CONECT    7   32   34   46   47                                       
CONECT    8   35   35   36   48                                       
CONECT    9   20   20   21   30                                       
CONECT   10   11   11   25   49                                       
CONECT   11   10   10   24   50                                       
CONECT   12   13   18   21   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14    2   13   54   55                                       
CONECT   15   16   24   24   56                                       
CONECT   16   15   25   25   57                                       
CONECT   17   24   26   26   38                                       
CONECT   18   12   22   22   23                                       
CONECT   19   23   25   58   59                                       
CONECT   20    9    9                                                 
CONECT   21    9   12   60                                            
CONECT   22   18   18                                                 
CONECT   23   18   19   61                                            
CONECT   24   11   15   15   17                                       
CONECT   25   10   16   16   19                                       
CONECT   26   17   17   62                                            
CONECT   27    2    2                                                 
CONECT   28    2   63   64                                            
CONECT   29   30   32   65                                            
CONECT   30    1    9   29   66                                       
CONECT   31    1   67   68   69                                       
CONECT   32    3    3    7   29                                       
CONECT   32   33   33                                                 
CONECT   33   32   32                                                 
CONECT   34    6    6    7   37                                       
CONECT   35    6    8    8   70                                       
CONECT   36    8   37   37   71                                       
CONECT   37   34   36   36   72                                       
CONECT   38   17   73   74                                            
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
