COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.232  -0.741  -0.469  1.00  0.00           C  
HETATM    2  S   UNL     1       3.154   0.650   0.243  1.00  0.00           S  
HETATM    3  C   UNL     1       2.468  -1.977   0.360  1.00  0.00           C  
HETATM    4  C   UNL     1       1.471  -2.539   0.997  1.00  0.00           C  
HETATM    5  C   UNL     1       1.674  -3.853   1.707  1.00  0.00           C  
HETATM    6  C   UNL     1       0.119  -1.872   1.020  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.752  -2.446  -0.100  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.103  -1.779  -0.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.192  -2.506  -0.047  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.534  -1.846   0.140  1.00  0.00           C  
HETATM   11  P   UNL     1       5.155   0.234  -0.320  1.00  0.00           P  
HETATM   12  P   UNL     1       7.708   1.660   0.163  1.00  0.00           P  
HETATM   13  C   UNL     1      -3.103  -4.003  -0.200  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.175  -1.597  -1.226  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.517  -0.938  -1.039  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.728   0.264  -1.516  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.619   1.000  -2.222  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.081   0.909  -1.360  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.080   1.801  -0.117  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.433   2.446   0.039  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.098   2.311   1.160  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.432   1.691   2.361  1.00  0.00           C  
HETATM   23  O   UNL     1       5.566  -1.071   0.247  1.00  0.00           O  
HETATM   24  O   UNL     1       8.179   1.427  -1.220  1.00  0.00           O  
HETATM   25  C   UNL     1     -11.529   2.774   1.247  1.00  0.00           C  
HETATM   26  O   UNL     1       5.260   0.178  -1.926  1.00  0.00           O  
HETATM   27  O   UNL     1       8.016   3.183   0.586  1.00  0.00           O  
HETATM   28  O   UNL     1       6.122   1.391   0.242  1.00  0.00           O  
HETATM   29  O   UNL     1       8.472   0.660   1.167  1.00  0.00           O  
HETATM   30  H   UNL     1       1.168  -0.506  -0.476  1.00  0.00           H  
HETATM   31  H   UNL     1       2.572  -0.918  -1.489  1.00  0.00           H  
HETATM   32  H   UNL     1       3.460  -2.400   0.430  1.00  0.00           H  
HETATM   33  H   UNL     1       1.986  -3.666   2.734  1.00  0.00           H  
HETATM   34  H   UNL     1       0.740  -4.414   1.707  1.00  0.00           H  
HETATM   35  H   UNL     1       2.444  -4.428   1.192  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.359  -2.053   1.982  1.00  0.00           H  
HETATM   37  H   UNL     1       0.242  -0.799   0.871  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.273  -2.265  -1.062  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.873  -3.519   0.049  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.173  -0.701  -0.086  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.179  -2.496   0.732  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.402  -0.896   0.658  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.881  -4.454   0.767  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.053  -4.387  -0.571  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.311  -4.249  -0.907  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.530  -0.948  -1.818  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.306  -2.548  -1.744  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.304  -1.455  -0.511  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.582   0.688  -3.266  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.804   2.073  -2.170  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.668   0.772  -1.741  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.299   1.514  -2.241  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.842   0.137  -1.253  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.863   1.196   0.764  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.319   2.573  -0.224  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.854   3.021  -0.772  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.382   1.502   2.137  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.505   2.372   3.209  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.926   0.751   2.607  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.194   1.957   0.966  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.749   3.086   2.268  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.681   3.615   0.570  1.00  0.00           H  
HETATM   63  H   UNL     1       5.005   1.001  -2.365  1.00  0.00           H  
HETATM   64  H   UNL     1       8.954   3.416   0.561  1.00  0.00           H  
HETATM   65  H   UNL     1       8.212   0.757   2.093  1.00  0.00           H  
CONECT    1    2    3   30   31                                       
CONECT    2    1   11                                                 
CONECT    3    1    4    4   32                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   33   34   35                                       
CONECT    6    4    7   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10   13                                       
CONECT   10    9   14   41   42                                       
CONECT   11    2   23   23   26                                       
CONECT   11   28                                                      
CONECT   12   24   24   27   28                                       
CONECT   12   29                                                      
CONECT   13    9   43   44   45                                       
CONECT   14   10   15   46   47                                       
CONECT   15   14   16   16   48                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   49   50   51                                       
CONECT   18   16   19   52   53                                       
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   21   56                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   57   58   59                                       
CONECT   23   11   11                                                 
CONECT   24   12   12                                                 
CONECT   25   21   60   61   62                                       
CONECT   26   11   63                                                 
CONECT   27   12   64                                                 
CONECT   28   11   12                                                 
CONECT   29   12   65                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
