COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.418   2.074   1.156  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.646  -1.278  -0.320  1.00  0.00           C  
HETATM    3  C   UNL     1       0.399  -0.450  -0.146  1.00  0.00           C  
HETATM    4  CA  UNL     1      -1.908   0.083  -0.720  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.138  -0.772  -0.555  1.00  0.00           C  
HETATM    6  CA  UNL     1      -5.546  -1.027  -0.286  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.640  -0.218   0.414  1.00  0.00           C  
HETATM    8  C   UNL     1       9.102   0.876   1.769  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.190   0.123   1.837  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.293   0.916   2.577  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.863   2.376   2.312  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.010   1.070   1.806  1.00  0.00           C  
HETATM   13  C   UNL     1       1.311  -2.206   1.975  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.045  -1.475  -1.661  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.162   3.384  -2.007  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.758   2.761  -3.345  1.00  0.00           C  
HETATM   17  C   UNL     1       8.121   0.063   1.232  1.00  0.00           C  
HETATM   18  C   UNL     1       1.524  -2.562   0.502  1.00  0.00           C  
HETATM   19  C   UNL     1       0.334  -3.381  -0.002  1.00  0.00           C  
HETATM   20  C   UNL     1       2.806  -3.385   0.357  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.036   0.918  -1.996  1.00  0.00           C  
HETATM   22  C   UNL     1       7.457   0.448   0.083  1.00  0.00           C  
HETATM   23  C   UNL     1       7.774   1.646  -0.530  1.00  0.00           C  
HETATM   24  C   UNL     1       8.750   2.461   0.010  1.00  0.00           C  
HETATM   25  C   UNL     1       6.389  -0.439  -0.503  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.856   1.887  -2.091  1.00  0.00           C  
HETATM   27  C   UNL     1       4.033  -0.790  -0.353  1.00  0.00           C  
HETATM   28  N   UNL     1       2.808  -0.513   0.137  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.725  -0.776  -0.815  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.351  -0.195  -0.447  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.415   2.322   2.081  1.00  0.00           N  
HETATM   32  O   UNL     1      -3.866   0.746   1.568  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.476  -0.334  -2.406  1.00  0.00           O  
HETATM   34  O   UNL     1       4.173  -1.674  -1.174  1.00  0.00           O  
HETATM   35  O   UNL     1       0.407   0.509   0.595  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.036  -1.980  -0.520  1.00  0.00           O  
HETATM   37  O   UNL     1       5.101  -0.086   0.068  1.00  0.00           O  
HETATM   38  H   UNL     1      10.184   2.709   1.576  1.00  0.00           H  
HETATM   39  HA  UNL     1       1.769  -1.532  -1.373  1.00  0.00           H  
HETATM   40  HA  UNL     1      -1.809   0.746   0.139  1.00  0.00           H  
HETATM   41  HA  UNL     1      -5.301  -1.903   0.315  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.822   0.703  -0.140  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.557  -0.806   0.455  1.00  0.00           H  
HETATM   44  H   UNL     1       9.621   0.575   2.667  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.937  -0.784   2.384  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.274   0.714   2.147  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.282   0.694   3.644  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.372   2.765   1.430  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.083   2.997   3.180  1.00  0.00           H  
HETATM   50  H   UNL     1       0.397  -1.620   2.079  1.00  0.00           H  
HETATM   51  H   UNL     1       1.224  -3.121   2.561  1.00  0.00           H  
HETATM   52  H   UNL     1       2.159  -1.623   2.334  1.00  0.00           H  
HETATM   53  H1  UNL     1      -5.237  -1.974  -2.196  1.00  0.00           H  
HETATM   54  H2  UNL     1      -6.880  -2.164  -1.538  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.432   4.019  -1.506  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.204   3.678  -1.883  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.535   2.645  -4.101  1.00  0.00           H  
HETATM   58  H   UNL     1       0.238   2.987  -3.725  1.00  0.00           H  
HETATM   59  H   UNL     1       7.874  -0.873   1.711  1.00  0.00           H  
HETATM   60  H   UNL     1       0.490  -3.643  -1.048  1.00  0.00           H  
HETATM   61  H   UNL     1       0.241  -4.291   0.591  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.578  -2.791   0.093  1.00  0.00           H  
HETATM   63  H   UNL     1       3.654  -2.802   0.716  1.00  0.00           H  
HETATM   64  H   UNL     1       2.720  -4.299   0.943  1.00  0.00           H  
HETATM   65  H   UNL     1       2.958  -3.638  -0.692  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.035   0.258  -2.864  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.968   1.482  -1.970  1.00  0.00           H  
HETATM   68  H   UNL     1       7.255   1.946  -1.429  1.00  0.00           H  
HETATM   69  H   UNL     1       8.998   3.397  -0.469  1.00  0.00           H  
HETATM   70  H   UNL     1       6.356  -0.304  -1.584  1.00  0.00           H  
HETATM   71  H   UNL     1       6.615  -1.480  -0.273  1.00  0.00           H  
HETATM   72  H   UNL     1       0.076   1.538  -1.648  1.00  0.00           H  
HETATM   73  H   UNL     1       2.696   0.193   0.793  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.751  -1.578  -1.359  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.433   0.771  -0.475  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.825   3.091   2.121  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.805  -0.543  -3.291  1.00  0.00           H  
CONECT    1   24   24    8   38                                       
CONECT    2   18   28    3   39                                       
CONECT    3    2   29   35   35                                       
CONECT    4   29   21    5   40                                       
CONECT    5   36   36    4   30                                       
CONECT    6   30   14    7   41                                       
CONECT    7    6    9   42   43                                       
CONECT    8    1   17   17   44                                       
CONECT    9   10    7   12   45                                       
CONECT   10   11    9   46   47                                       
CONECT   11   10   31   48   49                                       
CONECT   12    9   31   32   32                                       
CONECT   13   18   50   51   52                                       
CONECT   14    6   33   53   54                                       
CONECT   15   26   16   55   56                                       
CONECT   16   26   15   57   58                                       
CONECT   17    8    8   22   59                                       
CONECT   18   19   20    2   13                                       
CONECT   19   18   60   61   62                                       
CONECT   20   18   63   64   65                                       
CONECT   21   26    4   66   67                                       
CONECT   22   23   23   17   25                                       
CONECT   23   24   22   22   68                                       
CONECT   24    1    1   23   69                                       
CONECT   25   22   37   70   71                                       
CONECT   26   21   16   15   72                                       
CONECT   27   34   34   28   37                                       
CONECT   28    2   27   73                                            
CONECT   29    3    4   74                                            
CONECT   30    5    6   75                                            
CONECT   31   11   12   76                                            
CONECT   32   12   12                                                 
CONECT   33   14   77                                                 
CONECT   34   27   27                                                 
CONECT   35    3    3                                                 
CONECT   36    5    5                                                 
CONECT   37   27   25                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
