COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.329   0.602  -2.537  1.00  0.00           O  
HETATM    2  C   UNL     1       5.087  -0.259   0.396  1.00  0.00           C  
HETATM    3  C   UNL     1       2.747  -0.296   0.591  1.00  0.00           C  
HETATM    4  C   UNL     1       1.585  -1.182   1.052  1.00  0.00           C  
HETATM    5  N   UNL     1       3.997  -1.066   0.647  1.00  0.00           N  
HETATM    6  C   UNL     1       0.474  -2.842  -0.371  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.808  -2.141  -0.152  1.00  0.00           C  
HETATM    8  N   UNL     1       1.591  -2.415   0.251  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.690  -1.947  -1.218  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.884  -1.294  -1.013  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.214  -0.824   0.260  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.494  -0.117   0.479  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.434   0.129  -0.487  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.470   0.803   0.114  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.692   1.315  -0.344  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.074   1.169  -1.761  1.00  0.00           C  
HETATM   17  N   UNL     1      -9.250   1.663  -2.197  1.00  0.00           N  
HETATM   18  C   UNL     1      -8.543   1.964   0.549  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.186   2.102   1.879  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.988   1.603   2.342  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.116   0.948   1.467  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.904   0.363   1.627  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.332  -1.018   1.326  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.140  -1.676   1.123  1.00  0.00           C  
HETATM   25  O   UNL     1       0.522  -3.803  -1.114  1.00  0.00           O  
HETATM   26  C   UNL     1       2.849  -3.171   0.147  1.00  0.00           C  
HETATM   27  C   UNL     1       3.962  -2.207  -0.278  1.00  0.00           C  
HETATM   28  N   UNL     1       4.891   1.030   0.155  1.00  0.00           N  
HETATM   29  C   UNL     1       5.907   1.836  -0.090  1.00  0.00           C  
HETATM   30  N   UNL     1       6.301  -0.795   0.407  1.00  0.00           N  
HETATM   31  C   UNL     1       7.369  -0.057   0.171  1.00  0.00           C  
HETATM   32  C   UNL     1       7.206   1.310  -0.093  1.00  0.00           C  
HETATM   33  C   UNL     1       8.371   2.173  -0.362  1.00  0.00           C  
HETATM   34  O   UNL     1       8.211   3.357  -0.584  1.00  0.00           O  
HETATM   35  O   UNL     1       9.612   1.648  -0.360  1.00  0.00           O  
HETATM   36  C   UNL     1      10.712   2.557  -0.633  1.00  0.00           C  
HETATM   37  H   UNL     1       2.570   0.035  -0.432  1.00  0.00           H  
HETATM   38  H   UNL     1       2.826   0.572   1.246  1.00  0.00           H  
HETATM   39  H   UNL     1       1.708  -1.429   2.106  1.00  0.00           H  
HETATM   40  H   UNL     1       0.642  -0.654   0.904  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.435  -2.310  -2.202  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.566  -1.144  -1.837  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.378  -0.124  -1.422  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.502   1.567  -3.128  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.845   2.116  -1.578  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.485   2.362   0.202  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.854   2.607   2.561  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.722   1.719   3.382  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.587  -0.654   2.311  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.459  -1.825   1.947  1.00  0.00           H  
HETATM   51  H   UNL     1       3.093  -3.609   1.114  1.00  0.00           H  
HETATM   52  H   UNL     1       2.741  -3.961  -0.596  1.00  0.00           H  
HETATM   53  H   UNL     1       3.767  -1.849  -1.289  1.00  0.00           H  
HETATM   54  H   UNL     1       4.921  -2.725  -0.253  1.00  0.00           H  
HETATM   55  H   UNL     1       5.740   2.885  -0.285  1.00  0.00           H  
HETATM   56  H   UNL     1       8.354  -0.499   0.182  1.00  0.00           H  
HETATM   57  H   UNL     1      10.582   2.999  -1.620  1.00  0.00           H  
HETATM   58  H   UNL     1      10.726   3.346   0.120  1.00  0.00           H  
HETATM   59  H   UNL     1      11.653   2.008  -0.601  1.00  0.00           H  
CONECT    1   16   16                                                 
CONECT    2   28    5   30   30                                       
CONECT    3    4    5   37   38                                       
CONECT    4    3    8   39   40                                       
CONECT    5    3    2   27                                            
CONECT    6    7    8   25   25                                       
CONECT    7   24   24    9    6                                       
CONECT    8    4    6   26                                            
CONECT    9   10   10    7   41                                       
CONECT   10   11    9    9   42                                       
CONECT   11   12   23   23   10                                       
CONECT   12   22   22   13   11                                       
CONECT   13   14   12   43                                            
CONECT   14   15   15   21   13                                       
CONECT   15   18   16   14   14                                       
CONECT   16    1    1   15   17                                       
CONECT   17   16   44   45                                            
CONECT   18   19   19   15   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   48                                       
CONECT   21   20   20   14   22                                       
CONECT   22   21   12   12                                            
CONECT   23   11   11   24   49                                       
CONECT   24   23    7    7   50                                       
CONECT   25    6    6                                                 
CONECT   26    8   27   51   52                                       
CONECT   27    5   26   53   54                                       
CONECT   28   29   29    2                                            
CONECT   29   28   28   32   55                                       
CONECT   30    2    2   31                                            
CONECT   31   32   32   30   56                                       
CONECT   32   29   33   31   31                                       
CONECT   33   34   34   32   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36                                                 
CONECT   36   35   57   58   59                                       
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   31                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
