COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.220   1.390  -0.749  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.042  -0.975  -0.884  1.00  0.00           N  
HETATM    3  CA  UNL     1      -3.346  -1.075  -1.109  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.094   1.984  -0.352  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.749   3.850  -0.500  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.708  -0.904   3.232  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.950  -2.406  -1.302  1.00  0.00           C  
HETATM    8  C   UNL     1       3.440  -0.529  -0.049  1.00  0.00           C  
HETATM    9  C   UNL     1       5.790  -0.808   0.324  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.755  -0.616  -0.401  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.401  -1.216   0.850  1.00  0.00           C  
HETATM   12  N   UNL     1      -8.045  -0.403   2.021  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.587  -0.355   2.201  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.940   0.245   0.950  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.297  -0.568  -0.221  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.633  -0.067  -1.432  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.154   0.065  -1.176  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.589   1.312  -0.989  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.463   0.200  -0.705  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.357   2.439  -0.532  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.074   0.623  -0.443  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.407   4.443   0.868  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.995   4.614  -1.590  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.152  -2.516  -1.410  1.00  0.00           O  
HETATM   25  C   UNL     1       1.099  -0.250  -0.308  1.00  0.00           C  
HETATM   26  N   UNL     1       2.313   0.285  -0.068  1.00  0.00           N  
HETATM   27  O   UNL     1       0.976  -1.456  -0.413  1.00  0.00           O  
HETATM   28  C   UNL     1       4.667   0.012   0.308  1.00  0.00           C  
HETATM   29  C   UNL     1       5.629  -2.165  -0.025  1.00  0.00           C  
HETATM   30  C   UNL     1       4.357  -2.629  -0.361  1.00  0.00           C  
HETATM   31  N   UNL     1       3.324  -1.812  -0.368  1.00  0.00           N  
HETATM   32  N   UNL     1       7.034  -0.305   0.675  1.00  0.00           N  
HETATM   33  C   UNL     1       7.178   1.108   1.034  1.00  0.00           C  
HETATM   34  C   UNL     1       8.640   1.401   1.375  1.00  0.00           C  
HETATM   35  O   UNL     1       9.446   1.224   0.209  1.00  0.00           O  
HETATM   36  C   UNL     1      10.837   1.474   0.421  1.00  0.00           C  
HETATM   37  C   UNL     1       6.752  -3.055  -0.025  1.00  0.00           C  
HETATM   38  N   UNL     1       7.642  -3.760  -0.025  1.00  0.00           N  
HETATM   39  H   UNL     1       0.769   2.606  -0.164  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.822   3.933  -0.674  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.402  -1.933   3.415  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.427  -0.284   4.083  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.789  -0.865   3.096  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.320  -3.283  -1.347  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.995  -1.234  -1.266  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.485  -1.225   0.730  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.347   0.263   3.066  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.300   1.264   0.808  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.799  -0.766  -2.252  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.045   0.907  -1.695  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.195   2.205  -1.029  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.699   5.493   0.892  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.944   3.899   1.645  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.334   4.360   1.042  1.00  0.00           H  
HETATM   55  H   UNL     1       0.078   4.531  -1.416  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.239   4.191  -2.565  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.287   5.664  -1.566  1.00  0.00           H  
HETATM   58  H   UNL     1       2.400   1.237   0.093  1.00  0.00           H  
HETATM   59  H   UNL     1       4.749   1.057   0.568  1.00  0.00           H  
HETATM   60  H   UNL     1       4.218  -3.667  -0.624  1.00  0.00           H  
HETATM   61  H   UNL     1       7.808  -0.888   0.682  1.00  0.00           H  
HETATM   62  H   UNL     1       6.869   1.730   0.193  1.00  0.00           H  
HETATM   63  H   UNL     1       6.551   1.329   1.898  1.00  0.00           H  
HETATM   64  H   UNL     1       8.732   2.429   1.728  1.00  0.00           H  
HETATM   65  H   UNL     1       8.974   0.718   2.156  1.00  0.00           H  
HETATM   66  H   UNL     1      11.381   1.317  -0.511  1.00  0.00           H  
HETATM   67  H   UNL     1      10.975   2.503   0.753  1.00  0.00           H  
HETATM   68  H   UNL     1      11.217   0.792   1.182  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.135   0.394  -0.558  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.042  -2.235   0.992  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.207  -1.365   2.358  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.857   0.255   1.070  1.00  0.00           H  
CONECT    1   18   18   19   20                                       
CONECT    2    3   19   19                                            
CONECT    3    7   17   17    2                                       
CONECT    4   20   21   21   39                                       
CONECT    5   20   23   22   40                                       
CONECT    6   12   41   42   43                                       
CONECT    7   24   24    3   44                                       
CONECT    8   31   26   28   28                                       
CONECT    9   29   29   28   32                                       
CONECT   10   11   15   45   69                                       
CONECT   11   10   12   46   70                                       
CONECT   12   11    6   13                                            
CONECT   13   12   14   47   71                                       
CONECT   14   15   13   48   72                                       
CONECT   15   10   16   14                                            
CONECT   16   15   17   49   50                                       
CONECT   17   16    3    3   18                                       
CONECT   18   17    1    1   51                                       
CONECT   19    2    2    1   21                                       
CONECT   20    1    5    4                                            
CONECT   21   19    4    4   25                                       
CONECT   22    5   52   53   54                                       
CONECT   23    5   55   56   57                                       
CONECT   24    7    7                                                 
CONECT   25   26   21   27   27                                       
CONECT   26    8   25   58                                            
CONECT   27   25   25                                                 
CONECT   28    8    8    9   59                                       
CONECT   29   30   37    9    9                                       
CONECT   30   31   31   29   60                                       
CONECT   31   30   30    8                                            
CONECT   32    9   33   61                                            
CONECT   33   32   34   62   63                                       
CONECT   34   35   33   64   65                                       
CONECT   35   36   34                                                 
CONECT   36   35   66   67   68                                       
CONECT   37   29   38   38   38                                       
CONECT   38   37   37   37                                            
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
