COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.209   2.015  -1.075  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.205   0.196  -0.465  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.457   2.467  -0.692  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.459   1.557  -0.386  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.960   0.658  -1.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.340   2.445  -2.515  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.562   3.023  -2.226  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.597   0.168  -1.577  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.729  -0.003  -0.357  1.00  0.00           C  
HETATM   10  C   UNL     1       8.764   1.316  -0.284  1.00  0.00           C  
HETATM   11  S   UNL     1       2.933  -3.813  -1.450  1.00  0.00           S  
HETATM   12  S   UNL     1      -5.610  -2.123   1.787  1.00  0.00           S  
HETATM   13  O   UNL     1       8.033   0.004  -2.217  1.00  0.00           O  
HETATM   14  O   UNL     1       3.850   0.419  -0.590  1.00  0.00           O  
HETATM   15  O   UNL     1       0.978  -0.610   3.140  1.00  0.00           O  
HETATM   16  O   UNL     1       3.350  -0.648   2.056  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.867  -0.280  -0.855  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.173   0.248   0.743  1.00  0.00           O  
HETATM   19  O   UNL     1     -11.688   1.999  -0.010  1.00  0.00           O  
HETATM   20  N   UNL     1       2.859  -1.862   0.265  1.00  0.00           N  
HETATM   21  N   UNL     1       5.987  -0.178  -0.574  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.201  -0.604   1.236  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.459  -0.435  -0.489  1.00  0.00           N  
HETATM   24  C   UNL     1       4.228  -1.882  -0.228  1.00  0.00           C  
HETATM   25  C   UNL     1       4.392  -2.691  -1.534  1.00  0.00           C  
HETATM   26  C   UNL     1       6.420   1.201  -0.816  1.00  0.00           C  
HETATM   27  C   UNL     1       1.881  -2.586  -0.570  1.00  0.00           C  
HETATM   28  C   UNL     1       4.674  -0.464  -0.477  1.00  0.00           C  
HETATM   29  C   UNL     1       7.808   1.215  -1.492  1.00  0.00           C  
HETATM   30  C   UNL     1       5.699  -3.487  -1.528  1.00  0.00           C  
HETATM   31  C   UNL     1       4.313  -1.779  -2.760  1.00  0.00           C  
HETATM   32  C   UNL     1       6.611   1.929   0.497  1.00  0.00           C  
HETATM   33  C   UNL     1       7.958   1.996   0.803  1.00  0.00           C  
HETATM   34  C   UNL     1       2.510  -1.229   1.403  1.00  0.00           C  
HETATM   35  C   UNL     1       1.075  -1.243   1.863  1.00  0.00           C  
HETATM   36  C   UNL     1       0.208  -0.488   0.853  1.00  0.00           C  
HETATM   37  C   UNL     1       5.681   2.490   1.355  1.00  0.00           C  
HETATM   38  C   UNL     1       8.370   2.623   1.966  1.00  0.00           C  
HETATM   39  C   UNL     1       0.613   0.987   0.835  1.00  0.00           C  
HETATM   40  C   UNL     1       6.094   3.115   2.516  1.00  0.00           C  
HETATM   41  C   UNL     1       7.440   3.182   2.822  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.154   1.706  -0.245  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.615  -0.602   0.697  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.377   2.283   0.043  1.00  0.00           C  
HETATM   45  C   UNL     1       0.364   1.786  -1.524  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.866  -1.980   1.312  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.080   2.942  -0.948  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.708  -3.795   2.484  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.958  -0.251  -0.859  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.166  -0.484   0.303  1.00  0.00           C  
HETATM   51  H   UNL     1      -7.429   2.723  -1.314  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.983  -0.514  -0.228  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.653   3.527  -0.631  1.00  0.00           H  
HETATM   54  H   UNL     1       0.063   2.504  -3.515  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.112   3.538  -3.000  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.697  -0.789  -2.089  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.140   0.894  -2.249  1.00  0.00           H  
HETATM   58  H   UNL     1       9.071   0.322   0.040  1.00  0.00           H  
HETATM   59  H   UNL     1       9.636   1.916  -0.541  1.00  0.00           H  
HETATM   60  H   UNL     1       8.922  -0.073  -2.588  1.00  0.00           H  
HETATM   61  H   UNL     1       1.270   0.312   3.146  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.785   2.126   0.944  1.00  0.00           H  
HETATM   63  H   UNL     1       6.645  -0.884  -0.483  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.440  -0.766   2.162  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.104  -0.637  -1.369  1.00  0.00           H  
HETATM   66  H   UNL     1       4.869  -2.321   0.536  1.00  0.00           H  
HETATM   67  H   UNL     1       5.692   1.722  -1.437  1.00  0.00           H  
HETATM   68  H   UNL     1       1.402  -1.910  -1.278  1.00  0.00           H  
HETATM   69  H   UNL     1       1.139  -3.088   0.051  1.00  0.00           H  
HETATM   70  H   UNL     1       7.916   2.081  -2.145  1.00  0.00           H  
HETATM   71  H   UNL     1       5.733  -4.136  -2.403  1.00  0.00           H  
HETATM   72  H   UNL     1       6.543  -2.798  -1.552  1.00  0.00           H  
HETATM   73  H   UNL     1       5.750  -4.093  -0.624  1.00  0.00           H  
HETATM   74  H   UNL     1       3.396  -1.191  -2.717  1.00  0.00           H  
HETATM   75  H   UNL     1       5.173  -1.109  -2.770  1.00  0.00           H  
HETATM   76  H   UNL     1       4.313  -2.385  -3.665  1.00  0.00           H  
HETATM   77  H   UNL     1       0.728  -2.274   1.940  1.00  0.00           H  
HETATM   78  H   UNL     1       0.350  -0.916  -0.140  1.00  0.00           H  
HETATM   79  H   UNL     1       4.629   2.439   1.117  1.00  0.00           H  
HETATM   80  H   UNL     1       9.422   2.675   2.206  1.00  0.00           H  
HETATM   81  H   UNL     1       0.387   1.437   1.802  1.00  0.00           H  
HETATM   82  H   UNL     1       1.682   1.068   0.637  1.00  0.00           H  
HETATM   83  H   UNL     1       5.366   3.552   3.183  1.00  0.00           H  
HETATM   84  H   UNL     1       7.765   3.670   3.728  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.858   0.171   1.427  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.782   2.220   1.042  1.00  0.00           H  
HETATM   87  H   UNL     1       1.319   1.335  -1.749  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.238  -2.104   2.194  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.623  -2.753   0.582  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.035   3.395  -0.722  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.420  -4.522   1.724  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.034  -3.873   3.336  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.730  -3.994   2.808  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.759  -1.311  -0.921  1.00  0.00           H  
CONECT    1    5    5    3   51                                       
CONECT    2   49   49    4   52                                       
CONECT    3    4    4    1   53                                       
CONECT    4    2   19    3    3                                       
CONECT    5   49    8    1    1                                       
CONECT    6   45   45    7   54                                       
CONECT    7    6   47   47   55                                       
CONECT    8    9    5   56   57                                       
CONECT    9   18   18    8   23                                       
CONECT   10   33   29   58   59                                       
CONECT   11   27   25                                                 
CONECT   12   48   46                                                 
CONECT   13   29   60                                                 
CONECT   14   28   28                                                 
CONECT   15   35   61                                                 
CONECT   16   34   34                                                 
CONECT   17   50   50                                                 
CONECT   18    9    9                                                 
CONECT   19    4   62                                                 
CONECT   20   34   27   24                                            
CONECT   21   28   26   63                                            
CONECT   22   50   36   64                                            
CONECT   23    9   43   65                                            
CONECT   24   20   28   25   66                                       
CONECT   25   24   11   30   31                                       
CONECT   26   32   21   29   67                                       
CONECT   27   20   11   68   69                                       
CONECT   28   24   14   14   21                                       
CONECT   29   26   10   13   70                                       
CONECT   30   25   71   72   73                                       
CONECT   31   25   74   75   76                                       
CONECT   32   37   37   33   26                                       
CONECT   33   38   38   32   10                                       
CONECT   34   35   16   16   20                                       
CONECT   35   36   15   34   77                                       
CONECT   36   22   39   35   78                                       
CONECT   37   40   32   32   79                                       
CONECT   38   41   33   33   80                                       
CONECT   39   42   36   81   82                                       
CONECT   40   41   41   37   83                                       
CONECT   41   40   40   38   84                                       
CONECT   42   45   39   44   44                                       
CONECT   43   23   46   50   85                                       
CONECT   44   42   42   47   86                                       
CONECT   45    6    6   42   87                                       
CONECT   46   12   43   88   89                                       
CONECT   47    7    7   44   90                                       
CONECT   48   12   91   92   93                                       
CONECT   49    2    2    5   94                                       
CONECT   50   43   22   17   17                                       
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   48                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
