COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -2.435   3.592  -1.164  1.00  0.00           C  
HETATM    2  C   UNK A   1      -1.214   2.735  -1.502  1.00  0.00           C  
HETATM    3  C   UNK A   0      -0.051   0.902  -0.395  1.00  0.00           C  
HETATM    4  C   UNK A   0       0.430   0.200   0.849  1.00  0.00           C  
HETATM    5  C   UNK A   0       1.176  -1.053   0.463  1.00  0.00           C  
HETATM    6  C   UNK A   0       2.549  -1.084   0.354  1.00  0.00           C  
HETATM    7  C   UNK A   0       2.539  -3.398   0.018  1.00  0.00           C  
HETATM    8  C   UNK A   0       0.431  -2.218   0.183  1.00  0.00           C  
HETATM    9  C   UNK A   0       1.140  -3.432  -0.019  1.00  0.00           C  
HETATM   10  C   UNK A   0      -0.969  -2.222   0.110  1.00  0.00           C  
HETATM   11  C   UNK A   0      -1.637  -3.393  -0.106  1.00  0.00           C  
HETATM   12  C   UNK A   0       0.431  -4.627  -0.234  1.00  0.00           C  
HETATM   13  C   UNK A   0      -0.950  -4.595  -0.275  1.00  0.00           C  
HETATM   14  C   UNK A   0      -3.070  -5.646  -0.512  1.00  0.00           C  
HETATM   15  C   UNK A   0       1.451  -6.166  -1.732  1.00  0.00           C  
HETATM   16  C   UNK A   0       3.388   0.138   0.430  1.00  0.00           C  
HETATM   17  C   UNK A   0       4.674   0.030   0.978  1.00  0.00           C  
HETATM   18  C   UNK A   0       5.198  -1.345   1.322  1.00  0.00           C  
HETATM   19  C   UNK A   0       4.647  -2.322   0.277  1.00  0.00           C  
HETATM   20  C   UNK A   0       5.496   1.126   1.168  1.00  0.00           C  
HETATM   21  C   UNK A   0       2.949   1.371  -0.052  1.00  0.00           C  
HETATM   22  C   UNK A   0       3.763   2.476   0.136  1.00  0.00           C  
HETATM   23  C   UNK A   0       5.020   2.361   0.752  1.00  0.00           C  
HETATM   24  C   UNK A   1      -0.098   3.628  -2.048  1.00  0.00           C  
HETATM   25  C   UNK A   1      -3.488   2.733  -0.513  1.00  0.00           C  
HETATM   26  C   UNK A   1      -3.446   2.500   0.849  1.00  0.00           C  
HETATM   27  C   UNK A   1      -4.499   2.182  -1.278  1.00  0.00           C  
HETATM   28  C   UNK A   1      -5.465   1.393  -0.681  1.00  0.00           C  
HETATM   29  C   UNK A   1      -5.420   1.156   0.680  1.00  0.00           C  
HETATM   30  C   UNK A   1      -4.412   1.712   1.445  1.00  0.00           C  
HETATM   31  C   UNK A   0       4.860   4.420  -0.125  1.00  0.00           C  
HETATM   32  N   UNK A   0       3.178  -2.268   0.203  1.00  0.00           N1+
HETATM   33  N   UNK A   1      -6.455   0.312   1.319  1.00  0.00           N1+
HETATM   34  N   UNK A   1      -0.746   2.052  -0.293  1.00  0.00           N  
HETATM   35  O   UNK A   1      -2.050   4.635  -0.266  1.00  0.00           O  
HETATM   36  O   UNK A   0       0.187   0.432  -1.487  1.00  0.00           O  
HETATM   37  O   UNK A   0       1.093  -5.802  -0.397  1.00  0.00           O  
HETATM   38  O   UNK A   0      -1.645  -5.746  -0.480  1.00  0.00           O  
HETATM   39  O   UNK A   1       0.179   4.670  -1.109  1.00  0.00           O  
HETATM   40  O   UNK A   1      -6.415   0.103   2.518  1.00  0.00           O  
HETATM   41  O   UNK A   1      -7.346  -0.174   0.646  1.00  0.00           O1-
HETATM   42  O   UNK A   0       5.556   3.595   0.821  1.00  0.00           O  
HETATM   43  O   UNK A   0       3.580   3.775  -0.175  1.00  0.00           O  
HETATM   44  H   UNK A   1      -2.837   4.030  -2.078  1.00  0.00           H  
HETATM   45  H   UNK A   1      -1.487   1.995  -2.254  1.00  0.00           H  
HETATM   46  H   UNK A   0       1.095   0.861   1.405  1.00  0.00           H  
HETATM   47  H   UNK A   0      -0.425  -0.063   1.472  1.00  0.00           H  
HETATM   48  H   UNK A   0       3.100  -4.313  -0.109  1.00  0.00           H  
HETATM   49  H   UNK A   0      -1.543  -1.315   0.219  1.00  0.00           H  
HETATM   50  H   UNK A   0      -2.716  -3.384  -0.153  1.00  0.00           H  
HETATM   51  H   UNK A   0      -3.500  -6.633  -0.682  1.00  0.00           H  
HETATM   52  H   UNK A   0      -3.428  -5.253   0.440  1.00  0.00           H  
HETATM   53  H   UNK A   0      -3.370  -4.975  -1.317  1.00  0.00           H  
HETATM   54  H   UNK A   0       1.972  -7.123  -1.721  1.00  0.00           H  
HETATM   55  H   UNK A   0       0.549  -6.250  -2.340  1.00  0.00           H  
HETATM   56  H   UNK A   0       2.103  -5.401  -2.154  1.00  0.00           H  
HETATM   57  H   UNK A   0       6.284  -1.346   1.284  1.00  0.00           H  
HETATM   58  H   UNK A   0       4.850  -1.634   2.310  1.00  0.00           H  
HETATM   59  H   UNK A   0       5.058  -2.062  -0.695  1.00  0.00           H  
HETATM   60  H   UNK A   0       4.952  -3.330   0.544  1.00  0.00           H  
HETATM   61  H   UNK A   0       6.471   1.027   1.623  1.00  0.00           H  
HETATM   62  H   UNK A   0       2.029   1.482  -0.611  1.00  0.00           H  
HETATM   63  H   UNK A   1       0.800   3.032  -2.205  1.00  0.00           H  
HETATM   64  H   UNK A   1      -0.414   4.067  -2.994  1.00  0.00           H  
HETATM   65  H   UNK A   1      -2.658   2.934   1.447  1.00  0.00           H  
HETATM   66  H   UNK A   1      -4.535   2.367  -2.341  1.00  0.00           H  
HETATM   67  H   UNK A   1      -6.256   0.963  -1.278  1.00  0.00           H  
HETATM   68  H   UNK A   1      -4.379   1.530   2.510  1.00  0.00           H  
HETATM   69  H   UNK A   0       4.769   5.444   0.243  1.00  0.00           H  
HETATM   70  H   UNK A   0       5.350   4.401  -1.099  1.00  0.00           H  
HETATM   71  H   UNK A   1      -0.937   2.428   0.581  1.00  0.00           H  
HETATM   72  H   UNK A   1      -1.683   4.319   0.571  1.00  0.00           H  
HETATM   73  H   UNK A   1       0.878   5.276  -1.390  1.00  0.00           H  
CONECT    1    2   25   35   44                                       
CONECT    2   24   34    1   45                                       
CONECT    3   36   36   34    4                                       
CONECT    4    3    5   46   47                                       
CONECT    5    8    6    6    4                                       
CONECT    6   32    5    5   16                                       
CONECT    7    9   32   32   48                                       
CONECT    8    9    9   10    5                                       
CONECT    9   12    7    8    8                                       
CONECT   10   11   11    8   49                                       
CONECT   11   13   10   10   50                                       
CONECT   12   37   13   13    9                                       
CONECT   13   38   12   12   11                                       
CONECT   14   38   51   52   53                                       
CONECT   15   37   54   55   56                                       
CONECT   16    6   21   21   17                                       
CONECT   17   18   16   20   20                                       
CONECT   18   19   17   57   58                                       
CONECT   19   32   18   59   60                                       
CONECT   20   17   17   23   61                                       
CONECT   21   16   16   22   62                                       
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   20   42                                       
CONECT   24    2   39   63   64                                       
CONECT   25   26    1   27   27                                       
CONECT   26   30   30   25   65                                       
CONECT   27   25   25   28   66                                       
CONECT   28   29   29   27   67                                       
CONECT   29   30   33   28   28                                       
CONECT   30   26   26   29   68                                       
CONECT   31   43   42   69   70                                       
CONECT   32    7    7   19    6                                       
CONECT   33   40   40   29   41                                       
CONECT   34    2    3   71                                            
CONECT   35    1   72                                                 
CONECT   36    3    3                                                 
CONECT   37   15   12                                                 
CONECT   38   14   13                                                 
CONECT   39   24   73                                                 
CONECT   40   33   33                                                 
CONECT   41   33                                                      
CONECT   42   31   23                                                 
CONECT   43   31   22                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   39                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
