COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.300   1.399  -1.065  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.744  -0.682  -1.030  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.759  -2.284   0.549  1.00  0.00           O  
HETATM    4  S   UNL     1      -0.559  -2.096  -0.188  1.00  0.00           S  
HETATM    5  C   UNL     1       1.300   0.297  -1.903  1.00  0.00           C  
HETATM    6  N   UNL     1       0.207   1.896  -0.350  1.00  0.00           N  
HETATM    7  O   UNL     1      -0.058  -3.051  -1.113  1.00  0.00           O  
HETATM    8  C   UNL     1       2.473  -0.153  -2.477  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.044   4.284   2.519  1.00  0.00           N  
HETATM   10  O   UNL     1       3.707  -1.220   3.773  1.00  0.00           O  
HETATM   11  C   UNL     1       3.675   0.519  -2.247  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.921   4.315   0.364  1.00  0.00           N  
HETATM   13  C   UNL     1       3.677   1.653  -1.429  1.00  0.00           C  
HETATM   14  N   UNL     1       5.856  -0.319  -3.311  1.00  0.00           N  
HETATM   15  C   UNL     1       2.510   2.082  -0.851  1.00  0.00           C  
HETATM   16  C   UNL     1       0.022  -0.415  -2.250  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.673   0.343  -0.589  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.091   1.711  -1.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.416   3.302   0.021  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.753   3.783   0.841  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.850   3.773   2.185  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.691   4.612   1.434  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.269   4.525  -1.043  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.033   0.134  -1.259  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.724  -3.555   0.072  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.984  -2.386   0.763  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.437  -1.192   0.332  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.629  -1.167  -0.789  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.369  -2.336  -1.480  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.912  -3.531  -1.046  1.00  0.00           C  
HETATM   31  C   UNL     1       2.723  -1.422   2.859  1.00  0.00           C  
HETATM   32  C   UNL     1       1.402  -1.156   3.190  1.00  0.00           C  
HETATM   33  C   UNL     1       0.403  -1.363   2.259  1.00  0.00           C  
HETATM   34  C   UNL     1       0.718  -1.834   0.997  1.00  0.00           C  
HETATM   35  C   UNL     1       2.033  -2.099   0.665  1.00  0.00           C  
HETATM   36  C   UNL     1       3.037  -1.889   1.591  1.00  0.00           C  
HETATM   37  C   UNL     1       5.044  -1.515   3.363  1.00  0.00           C  
HETATM   38  C   UNL     1       4.891   0.052  -2.840  1.00  0.00           C  
HETATM   39  H   UNL     1       2.461  -1.030  -3.107  1.00  0.00           H  
HETATM   40  H   UNL     1       4.597   2.191  -1.252  1.00  0.00           H  
HETATM   41  H   UNL     1       2.520   2.960  -0.221  1.00  0.00           H  
HETATM   42  H   UNL     1       0.256  -1.358  -2.744  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.569   0.208  -2.921  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.785   0.300   0.494  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.771   2.505  -0.688  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.965   1.743  -2.082  1.00  0.00           H  
HETATM   47  H   UNL     1       1.331   3.391   0.606  1.00  0.00           H  
HETATM   48  H   UNL     1       0.500   3.907  -0.881  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.098   3.415   2.872  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.678   5.047   1.397  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.857   3.681  -1.401  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.852   5.441  -1.140  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.357   4.610  -1.634  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.698   0.956  -0.994  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.904   0.106  -2.341  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.151  -4.488   0.409  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.615  -2.406   1.639  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.641  -0.279   0.871  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.738  -2.316  -2.356  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.708  -4.444  -1.586  1.00  0.00           H  
HETATM   61  H   UNL     1       1.155  -0.789   4.175  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.626  -1.157   2.516  1.00  0.00           H  
HETATM   63  H   UNL     1       2.277  -2.467  -0.321  1.00  0.00           H  
HETATM   64  H   UNL     1       4.064  -2.096   1.330  1.00  0.00           H  
HETATM   65  H   UNL     1       5.307  -0.893   2.507  1.00  0.00           H  
HETATM   66  H   UNL     1       5.730  -1.310   4.185  1.00  0.00           H  
HETATM   67  H   UNL     1       5.115  -2.566   3.083  1.00  0.00           H  
CONECT    1    6    5    5   15                                       
CONECT    2   17   16    4                                            
CONECT    3    4    4                                                 
CONECT    4    2    3    3    7                                       
CONECT    4    7   34                                                 
CONECT    5    1    1   16    8                                       
CONECT    6    1   18   19                                            
CONECT    7    4    4                                                 
CONECT    8    5   11   11   39                                       
CONECT    9   22   22   21                                            
CONECT   10   31   37                                                 
CONECT   11    8    8   13   38                                       
CONECT   12   22   20   23                                            
CONECT   13   11   15   15   40                                       
CONECT   14   38   38   38                                            
CONECT   15    1   13   13   41                                       
CONECT   16    2    5   42   43                                       
CONECT   17    2   24   18   44                                       
CONECT   18    6   17   45   46                                       
CONECT   19    6   20   47   48                                       
CONECT   20   12   19   21   21                                       
CONECT   21    9   20   20   49                                       
CONECT   22    9    9   12   50                                       
CONECT   23   12   51   52   53                                       
CONECT   24   17   28   54   55                                       
CONECT   25   30   30   26   56                                       
CONECT   26   25   27   27   57                                       
CONECT   27   26   26   28   58                                       
CONECT   28   24   27   29   29                                       
CONECT   29   28   28   30   59                                       
CONECT   30   25   25   29   60                                       
CONECT   31   10   36   36   32                                       
CONECT   32   31   33   33   61                                       
CONECT   33   32   32   34   62                                       
CONECT   34    4   33   35   35                                       
CONECT   35   34   34   36   63                                       
CONECT   36   31   31   35   64                                       
CONECT   37   10   65   66   67                                       
CONECT   38   11   14   14   14                                       
CONECT   39    8                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
