COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.889   1.675  -1.164  1.00  0.00           C  
HETATM    2  C   UNL     1       3.922  -0.268   0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       4.979  -1.848   1.527  1.00  0.00           C  
HETATM    4  C   UNL     1       1.780   2.360  -1.621  1.00  0.00           C  
HETATM    5  C   UNL     1       1.457  -0.046  -0.261  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.017   0.112  -0.492  1.00  0.00           C  
HETATM    7  C   UNL     1       0.513   1.856  -1.405  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.408  -1.056  -1.068  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.030  -2.819  -1.505  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.669  -1.425   0.068  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.563  -0.934  -0.085  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.658  -1.557  -0.861  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.243   0.278   0.557  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.929   1.129   1.393  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.118   2.173   1.719  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.922   2.019   1.114  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.969   0.826   0.369  1.00  0.00           C  
HETATM   18  C   UNL     1       0.344   0.650  -0.723  1.00  0.00           C  
HETATM   19  C   UNL     1       2.734   0.467  -0.481  1.00  0.00           C  
HETATM   20  O   UNL     1       4.973  -0.189  -0.602  1.00  0.00           O  
HETATM   21  N   UNL     1       3.839  -1.026   1.113  1.00  0.00           N  
HETATM   22  C   UNL     1       2.608  -1.029   1.908  1.00  0.00           C  
HETATM   23  H   UNL     1       3.878   2.072  -1.340  1.00  0.00           H  
HETATM   24  H   UNL     1       5.622  -1.269   2.190  1.00  0.00           H  
HETATM   25  H   UNL     1       4.619  -2.733   2.052  1.00  0.00           H  
HETATM   26  H   UNL     1       5.546  -2.152   0.647  1.00  0.00           H  
HETATM   27  H   UNL     1       1.905   3.294  -2.148  1.00  0.00           H  
HETATM   28  H   UNL     1       1.331  -0.980   0.267  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.350   2.397  -1.763  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.718  -1.594  -1.701  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.054  -3.076  -1.236  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.954  -2.711  -2.587  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.357  -3.609  -1.170  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.841   1.005   1.699  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.391   2.997   2.362  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.080   2.691   1.188  1.00  0.00           H  
HETATM   37  H   UNL     1       1.957  -1.834   1.567  1.00  0.00           H  
HETATM   38  H   UNL     1       2.854  -1.182   2.959  1.00  0.00           H  
HETATM   39  H   UNL     1       2.097  -0.074   1.789  1.00  0.00           H  
CONECT    1    4   19   19   23                                       
CONECT    2   19   20   20   21                                       
CONECT    3   21   24   25   26                                       
CONECT    4    7    7    1   27                                       
CONECT    5   18   18   19   28                                       
CONECT    6   17   18    8    8                                       
CONECT    7    4    4   18   29                                       
CONECT    8    6    6   12   30                                       
CONECT    9   12   31   32   33                                       
CONECT   10   11   11                                                 
CONECT   11   13   10   10   12                                       
CONECT   12   11    8    9                                            
CONECT   13   14   17   17   11                                       
CONECT   14   15   13   34                                            
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17   36                                       
CONECT   17   16   13   13    6                                       
CONECT   18    7    6    5    5                                       
CONECT   19    1    1    5    2                                       
CONECT   20    2    2                                                 
CONECT   21    2    3   22                                            
CONECT   22   21   37   38   39                                       
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
