COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.207  -1.453   0.223  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.070  -0.244   0.220  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.144   0.556   0.371  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.476  -0.030   0.540  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.376   0.956   1.286  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.488   2.253   0.482  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.767   0.345   1.462  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.370   0.043   0.089  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.669  -0.529   0.253  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.481   1.339  -0.716  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.090   1.952  -0.892  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.190   0.965  -1.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.469  -0.944  -0.657  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.078  -0.332  -0.834  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.732   0.344   0.056  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.561   1.736   0.051  1.00  0.00           C  
HETATM   17  C   UNL     1       0.702   2.240  -0.104  1.00  0.00           C  
HETATM   18  C   UNL     1       0.398  -0.481  -0.091  1.00  0.00           C  
HETATM   19  S   UNL     1       0.213  -2.233  -0.082  1.00  0.00           S  
HETATM   20  C   UNL     1       1.939  -2.733  -0.301  1.00  0.00           C  
HETATM   21  C   UNL     1       2.014  -4.254  -0.449  1.00  0.00           C  
HETATM   22  C   UNL     1       3.473  -4.677  -0.634  1.00  0.00           C  
HETATM   23  C   UNL     1       4.288  -4.242   0.585  1.00  0.00           C  
HETATM   24  C   UNL     1       4.213  -2.721   0.733  1.00  0.00           C  
HETATM   25  C   UNL     1       2.754  -2.298   0.918  1.00  0.00           C  
HETATM   26  N   UNL     1       1.601   0.054  -0.238  1.00  0.00           N  
HETATM   27  C   UNL     1       1.779   1.367  -0.251  1.00  0.00           C  
HETATM   28  N   UNL     1       3.055   1.880  -0.407  1.00  0.00           N  
HETATM   29  C   UNL     1       3.467   2.656   0.790  1.00  0.00           C  
HETATM   30  C   UNL     1       5.012   2.686   0.679  1.00  0.00           C  
HETATM   31  C   UNL     1       4.050   0.794  -0.546  1.00  0.00           C  
HETATM   32  C   UNL     1       5.346   1.280   0.128  1.00  0.00           C  
HETATM   33  C   UNL     1       6.478   1.367  -0.898  1.00  0.00           C  
HETATM   34  C   UNL     1       7.764   1.725  -0.198  1.00  0.00           C  
HETATM   35  O   UNL     1       8.898   1.857  -0.905  1.00  0.00           O  
HETATM   36  O   UNL     1       7.774   1.893   0.998  1.00  0.00           O  
HETATM   37  H   UNL     1      -3.035   1.520   0.368  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.396  -0.954   1.113  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.947   1.172   2.265  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.129   2.956   1.013  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.497   2.689   0.356  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.688  -0.579   2.035  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.409   1.048   1.994  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.111  -0.746  -0.579  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.910   1.125  -1.694  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.123   2.043  -0.184  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.169   2.875  -1.465  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.619   0.750  -2.616  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.199   1.401  -1.763  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.390  -1.868  -0.084  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.898  -1.159  -1.636  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.437  -1.035  -1.365  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.408   2.396   0.165  1.00  0.00           H  
HETATM   54  H   UNL     1       0.863   3.308  -0.112  1.00  0.00           H  
HETATM   55  H   UNL     1       2.343  -2.261  -1.196  1.00  0.00           H  
HETATM   56  H   UNL     1       1.610  -4.727   0.446  1.00  0.00           H  
HETATM   57  H   UNL     1       1.433  -4.564  -1.317  1.00  0.00           H  
HETATM   58  H   UNL     1       3.526  -5.760  -0.740  1.00  0.00           H  
HETATM   59  H   UNL     1       3.877  -4.204  -1.530  1.00  0.00           H  
HETATM   60  H   UNL     1       3.884  -4.714   1.480  1.00  0.00           H  
HETATM   61  H   UNL     1       5.328  -4.543   0.453  1.00  0.00           H  
HETATM   62  H   UNL     1       4.794  -2.411   1.601  1.00  0.00           H  
HETATM   63  H   UNL     1       4.617  -2.248  -0.162  1.00  0.00           H  
HETATM   64  H   UNL     1       2.701  -1.215   1.023  1.00  0.00           H  
HETATM   65  H   UNL     1       2.350  -2.771   1.813  1.00  0.00           H  
HETATM   66  H   UNL     1       3.059   3.666   0.753  1.00  0.00           H  
HETATM   67  H   UNL     1       3.157   2.148   1.704  1.00  0.00           H  
HETATM   68  H   UNL     1       5.334   3.460  -0.017  1.00  0.00           H  
HETATM   69  H   UNL     1       5.467   2.837   1.659  1.00  0.00           H  
HETATM   70  H   UNL     1       3.688  -0.106  -0.049  1.00  0.00           H  
HETATM   71  H   UNL     1       4.233   0.591  -1.601  1.00  0.00           H  
HETATM   72  H   UNL     1       5.623   0.611   0.942  1.00  0.00           H  
HETATM   73  H   UNL     1       6.591   0.405  -1.396  1.00  0.00           H  
HETATM   74  H   UNL     1       6.240   2.133  -1.636  1.00  0.00           H  
HETATM   75  H   UNL     1       9.697   2.088  -0.412  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   15                                       
CONECT    3    4    2   37                                            
CONECT    4   14    3    5   38                                       
CONECT    5    4    7    6   39                                       
CONECT    6   11    5   40   41                                       
CONECT    7    8    5   42   43                                       
CONECT    8   13    9   10    7                                       
CONECT    9    8   44                                                 
CONECT   10    8   11   45   46                                       
CONECT   11   12   10    6   47                                       
CONECT   12   14   11   48   49                                       
CONECT   13   14    8   50   51                                       
CONECT   14   13   12    4   52                                       
CONECT   15    2   16   16   18                                       
CONECT   16   15   15   17   53                                       
CONECT   17   16   27   27   54                                       
CONECT   18   15   19   26   26                                       
CONECT   19   20   18                                                 
CONECT   20   25   19   21   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   23   21   58   59                                       
CONECT   23   24   22   60   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   24   20   64   65                                       
CONECT   26   18   18   27                                            
CONECT   27   17   17   26   28                                       
CONECT   28   27   31   29                                            
CONECT   29   28   30   66   67                                       
CONECT   30   29   32   68   69                                       
CONECT   31   28   32   70   71                                       
CONECT   32   31   33   30   72                                       
CONECT   33   32   34   73   74                                       
CONECT   34   33   36   36   35                                       
CONECT   35   34   75                                                 
CONECT   36   34   34                                                 
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
