COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       0.688  -1.674   0.178  1.00  0.00           N  
HETATM    2  N   UNK A   1      -1.521  -2.157  -0.402  1.00  0.00           N  
HETATM    3  C   UNK A   0       7.892   0.278   0.257  1.00  0.00           C  
HETATM    4  C   UNK A   0       9.074   0.942  -0.001  1.00  0.00           C  
HETATM    5  C   UNK A   0       9.053   2.195  -0.587  1.00  0.00           C  
HETATM    6  C   UNK A   0       7.849   2.789  -0.918  1.00  0.00           C  
HETATM    7  C   UNK A   0       6.661   2.135  -0.665  1.00  0.00           C  
HETATM    8  C   UNK A   0       6.676   0.869  -0.080  1.00  0.00           C  
HETATM    9  C   UNK A   0       5.403   0.161   0.194  1.00  0.00           C  
HETATM   10  C   UNK A   0       5.422  -1.105   0.780  1.00  0.00           C  
HETATM   11  C   UNK A   0       4.240  -1.764   1.035  1.00  0.00           C  
HETATM   12  O   UNK A   0       1.671  -2.627   1.926  1.00  0.00           O  
HETATM   13  O   UNK A   0      -0.530  -3.129   1.332  1.00  0.00           O  
HETATM   14  C   UNK A   0       3.022  -1.164   0.707  1.00  0.00           C  
HETATM   15  C   UNK A   0       3.004   0.104   0.120  1.00  0.00           C  
HETATM   16  C   UNK A   0       4.186   0.763  -0.128  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.754  -1.870   0.979  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.776  -0.734  -0.942  1.00  0.00           C  
HETATM   19  C   UNK A   0       0.004   0.517  -0.609  1.00  0.00           C  
HETATM   20  C   UNK A   0      -0.689   0.604   0.584  1.00  0.00           C  
HETATM   21  C   UNK A   0      -1.398   1.751   0.889  1.00  0.00           C  
HETATM   22  C   UNK A   0      -1.413   2.811   0.002  1.00  0.00           C  
HETATM   23  C   UNK A   0      -2.186   4.061   0.334  1.00  0.00           C  
HETATM   24  C   UNK A   0      -0.719   2.724  -1.191  1.00  0.00           C  
HETATM   25  C   UNK A   0      -0.008   1.578  -1.494  1.00  0.00           C  
HETATM   26  C   UNK A   0      -0.457  -2.349   0.403  1.00  0.00           C  
HETATM   27  C   UNK A   1      -2.766  -2.890  -0.157  1.00  0.00           C  
HETATM   28  C   UNK A   1      -2.691  -4.242  -0.818  1.00  0.00           C  
HETATM   29  C   UNK A   1      -3.943  -2.103  -0.737  1.00  0.00           C  
HETATM   30  C   UNK A   1      -5.465   0.294  -0.746  1.00  0.00           C  
HETATM   31  C   UNK A   1      -5.675   1.676  -0.183  1.00  0.00           C  
HETATM   32  C   UNK A   1      -5.053   2.762  -0.769  1.00  0.00           C  
HETATM   33  C   UNK A   1      -5.246   4.030  -0.253  1.00  0.00           C  
HETATM   34  C   UNK A   1      -6.060   4.212   0.849  1.00  0.00           C  
HETATM   35  C   UNK A   1      -6.682   3.125   1.435  1.00  0.00           C  
HETATM   36  C   UNK A   1      -6.494   1.858   0.916  1.00  0.00           C  
HETATM   37  O   UNK A   1      -3.726  -5.092  -0.727  1.00  0.00           O  
HETATM   38  O   UNK A   1      -1.700  -4.561  -1.431  1.00  0.00           O  
HETATM   39  S   UNK A   1      -4.033  -0.476   0.060  1.00  0.00           S  
HETATM   40  H   UNK A   1      -1.463  -1.534  -1.143  1.00  0.00           H  
HETATM   41  H   UNK A   0       7.910  -0.700   0.715  1.00  0.00           H  
HETATM   42  H   UNK A   0      10.018   0.483   0.256  1.00  0.00           H  
HETATM   43  H   UNK A   0       9.981   2.711  -0.786  1.00  0.00           H  
HETATM   44  H   UNK A   0       7.839   3.767  -1.375  1.00  0.00           H  
HETATM   45  H   UNK A   0       5.721   2.600  -0.923  1.00  0.00           H  
HETATM   46  H   UNK A   0       6.364  -1.569   1.033  1.00  0.00           H  
HETATM   47  H   UNK A   0       4.255  -2.744   1.488  1.00  0.00           H  
HETATM   48  H   UNK A   0       2.063   0.568  -0.134  1.00  0.00           H  
HETATM   49  H   UNK A   0       4.173   1.745  -0.577  1.00  0.00           H  
HETATM   50  H   UNK A   0       1.821  -0.479  -1.121  1.00  0.00           H  
HETATM   51  H   UNK A   0       0.356  -1.193  -1.836  1.00  0.00           H  
HETATM   52  H   UNK A   0      -0.677  -0.223   1.278  1.00  0.00           H  
HETATM   53  H   UNK A   0      -1.939   1.820   1.821  1.00  0.00           H  
HETATM   54  H   UNK A   0      -1.540   4.756   0.869  1.00  0.00           H  
HETATM   55  H   UNK A   0      -2.537   4.527  -0.587  1.00  0.00           H  
HETATM   56  H   UNK A   0      -3.041   3.804   0.960  1.00  0.00           H  
HETATM   57  H   UNK A   0      -0.731   3.552  -1.884  1.00  0.00           H  
HETATM   58  H   UNK A   0       0.537   1.512  -2.424  1.00  0.00           H  
HETATM   59  H   UNK A   1      -2.907  -3.018   0.916  1.00  0.00           H  
HETATM   60  H   UNK A   1      -3.802  -1.976  -1.810  1.00  0.00           H  
HETATM   61  H   UNK A   1      -4.869  -2.649  -0.554  1.00  0.00           H  
HETATM   62  H   UNK A   1      -6.353  -0.312  -0.563  1.00  0.00           H  
HETATM   63  H   UNK A   1      -5.286   0.361  -1.819  1.00  0.00           H  
HETATM   64  H   UNK A   1      -4.417   2.621  -1.630  1.00  0.00           H  
HETATM   65  H   UNK A   1      -4.760   4.879  -0.711  1.00  0.00           H  
HETATM   66  H   UNK A   1      -6.210   5.202   1.252  1.00  0.00           H  
HETATM   67  H   UNK A   1      -7.319   3.267   2.296  1.00  0.00           H  
HETATM   68  H   UNK A   1      -6.983   1.010   1.371  1.00  0.00           H  
HETATM   69  H   UNK A   1      -3.631  -5.948  -1.167  1.00  0.00           H  
CONECT    1   17   26   18                                            
CONECT    2   27   26   40                                            
CONECT    3    4    4    8   41                                       
CONECT    4    5    3    3   42                                       
CONECT    5    6    6    4   43                                       
CONECT    6    5    5    7   44                                       
CONECT    7    6    8    8   45                                       
CONECT    8    7    7    3    9                                       
CONECT    9    8   10   10   16                                       
CONECT   10    9    9   11   46                                       
CONECT   11   10   14   14   47                                       
CONECT   12   17   17                                                 
CONECT   13   26   26                                                 
CONECT   14   11   11   15   17                                       
CONECT   15   16   16   14   48                                       
CONECT   16    9   15   15   49                                       
CONECT   17   14   12   12    1                                       
CONECT   18    1   19   50   51                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19   21   52                                       
CONECT   21   20   22   22   53                                       
CONECT   22   21   21   24   23                                       
CONECT   23   22   54   55   56                                       
CONECT   24   25   25   22   57                                       
CONECT   25   19   24   24   58                                       
CONECT   26    2    1   13   13                                       
CONECT   27   28    2   29   59                                       
CONECT   28   38   38   37   27                                       
CONECT   29   27   39   60   61                                       
CONECT   30   39   31   62   63                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   64                                       
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   36   36   34   67                                       
CONECT   36   31   35   35   68                                       
CONECT   37   28   69                                                 
CONECT   38   28   28                                                 
CONECT   39   29   30                                                 
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
