COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.108  -3.726   0.733  1.00  0.00           C  
HETATM    2  C   UNL     1       5.317  -2.390   0.196  1.00  0.00           C  
HETATM    3  C   UNL     1       4.525  -3.538   0.027  1.00  0.00           C  
HETATM    4  N   UNL     1       4.395  -5.959   0.073  1.00  0.00           N  
HETATM    5  C   UNL     1       3.261  -1.819  -0.362  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.303  -2.273  -0.649  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.085  -2.343   0.804  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.271  -2.441   1.420  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.387  -2.515   2.628  1.00  0.00           O  
HETATM   10  N   UNL     1      -8.318  -2.449   0.583  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.828  -2.345  -0.800  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.414  -1.077  -1.452  1.00  0.00           C  
HETATM   13  S   UNL     1      -7.151   0.200  -1.060  1.00  0.00           S  
HETATM   14  C   UNL     1      -5.722  -0.951  -1.187  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.561  -0.473  -0.312  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.927   0.770  -0.939  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.767   1.247  -0.064  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.133   2.491  -0.691  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.990   2.961   0.171  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.709   2.361   1.187  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.279   4.048  -0.187  1.00  0.00           N  
HETATM   22  S   UNL     1       0.978   4.565   0.760  1.00  0.00           S  
HETATM   23  O   UNL     1       1.537   5.694   0.104  1.00  0.00           O  
HETATM   24  O   UNL     1       0.485   4.606   2.093  1.00  0.00           O  
HETATM   25  N   UNL     1       2.136   3.382   0.726  1.00  0.00           N  
HETATM   26  C   UNL     1       2.823   3.066  -0.529  1.00  0.00           C  
HETATM   27  C   UNL     1       4.073   2.235  -0.231  1.00  0.00           C  
HETATM   28  O   UNL     1       3.702   0.914   0.222  1.00  0.00           O  
HETATM   29  C   UNL     1       4.880   1.995  -1.526  1.00  0.00           C  
HETATM   30  C   UNL     1       5.416   0.554  -1.373  1.00  0.00           C  
HETATM   31  C   UNL     1       4.868   0.093  -0.004  1.00  0.00           C  
HETATM   32  N   UNL     1       4.493  -1.322  -0.056  1.00  0.00           N  
HETATM   33  N   UNL     1       3.282  -3.120  -0.313  1.00  0.00           N  
HETATM   34  N   UNL     1       6.589  -2.530   0.551  1.00  0.00           N  
HETATM   35  N   UNL     1       6.406  -4.834   0.575  1.00  0.00           N  
HETATM   36  C   UNL     1       5.125  -4.793   0.226  1.00  0.00           C  
HETATM   37  O   UNL     1       6.845   0.548  -1.368  1.00  0.00           O  
HETATM   38  H   UNL     1       8.147  -3.805   1.017  1.00  0.00           H  
HETATM   39  H   UNL     1       3.458  -5.916  -0.174  1.00  0.00           H  
HETATM   40  H   UNL     1       4.821  -6.819   0.214  1.00  0.00           H  
HETATM   41  H   UNL     1       2.395  -1.222  -0.608  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.834  -3.122  -1.148  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.222  -2.322   1.245  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.249  -2.513   0.847  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.110  -3.232  -1.368  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.510  -1.207  -2.530  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.376  -0.823  -1.008  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.405  -1.061  -2.224  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.933  -0.229   0.683  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.814  -1.263  -0.236  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.556   0.525  -1.934  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.675   1.560  -1.014  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.139   1.492   0.931  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.020   0.457   0.012  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.761   2.246  -1.686  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.880   3.281  -0.766  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.503   4.528  -0.999  1.00  0.00           H  
HETATM   58  H   UNL     1       2.360   2.899   1.536  1.00  0.00           H  
HETATM   59  H   UNL     1       2.155   2.498  -1.176  1.00  0.00           H  
HETATM   60  H   UNL     1       3.113   3.991  -1.028  1.00  0.00           H  
HETATM   61  H   UNL     1       4.691   2.734   0.515  1.00  0.00           H  
HETATM   62  H   UNL     1       4.233   2.072  -2.400  1.00  0.00           H  
HETATM   63  H   UNL     1       5.706   2.704  -1.598  1.00  0.00           H  
HETATM   64  H   UNL     1       5.033  -0.082  -2.172  1.00  0.00           H  
HETATM   65  H   UNL     1       5.609   0.262   0.777  1.00  0.00           H  
HETATM   66  H   UNL     1       7.242   0.886  -2.183  1.00  0.00           H  
CONECT    1   34   35   35   38                                       
CONECT    2   32   34   34    3                                       
CONECT    3    2   33   36   36                                       
CONECT    4   36   39   40                                            
CONECT    5   32   33   33   41                                       
CONECT    6    7   14   11   42                                       
CONECT    7    6    8   43                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   44                                            
CONECT   11    6   10   12   45                                       
CONECT   12   11   13   46   47                                       
CONECT   13   14   12                                                 
CONECT   14   15    6   13   48                                       
CONECT   15   16   14   49   50                                       
CONECT   16   17   15   51   52                                       
CONECT   17   18   16   53   54                                       
CONECT   18   19   17   55   56                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   57                                            
CONECT   22   24   24   23   23                                       
CONECT   22   25   21                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   58                                            
CONECT   26   25   27   59   60                                       
CONECT   27   26   29   28   61                                       
CONECT   28   27   31                                                 
CONECT   29   27   30   62   63                                       
CONECT   30   37   29   31   64                                       
CONECT   31   28   30   32   65                                       
CONECT   32   31    2    5                                            
CONECT   33    5    5    3                                            
CONECT   34    2    2    1                                            
CONECT   35    1    1   36                                            
CONECT   36    3    3   35    4                                       
CONECT   37   30   66                                                 
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
