COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.227   1.759  -2.771  1.00  0.00           C  
HETATM    2  C   UNL     1       1.850   1.321  -1.512  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356   0.850  -2.343  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.198   3.296   0.465  1.00  0.00           O  
HETATM    5  C   UNL     1       4.059   1.817  -0.783  1.00  0.00           C  
HETATM    6  C   UNL     1       6.144  -0.338   0.412  1.00  0.00           C  
HETATM    7  C   UNL     1       4.368  -1.503   2.115  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.122   0.087   0.124  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.559  -1.158  -0.272  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.905  -1.518  -0.085  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.801  -0.594   0.510  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.326   0.675   0.906  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.376  -2.780  -0.480  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.587  -2.175   0.308  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.147  -0.950   0.696  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.196  -4.388  -0.683  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.597  -2.131  -0.903  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.032   2.915   1.265  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.863   3.893   1.982  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.703   5.194   1.757  1.00  0.00           C  
HETATM   21  C   UNL     1       0.553   0.864  -1.297  1.00  0.00           C  
HETATM   22  C   UNL     1       0.023   1.300  -3.594  1.00  0.00           C  
HETATM   23  C   UNL     1       1.313   1.747  -3.809  1.00  0.00           C  
HETATM   24  O   UNL     1       0.178   0.432  -0.063  1.00  0.00           O  
HETATM   25  O   UNL     1       2.746   1.336  -0.489  1.00  0.00           O  
HETATM   26  C   UNL     1       4.918   1.760   0.481  1.00  0.00           C  
HETATM   27  N   UNL     1       5.099   0.363   0.886  1.00  0.00           N  
HETATM   28  N   UNL     1       6.334  -1.622   0.767  1.00  0.00           N  
HETATM   29  C   UNL     1       5.473  -2.229   1.609  1.00  0.00           C  
HETATM   30  C   UNL     1       4.202  -0.216   1.742  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.002   1.000   0.710  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.709  -3.102  -0.282  1.00  0.00           C  
HETATM   33  O   UNL     1       6.926   0.194  -0.352  1.00  0.00           O  
HETATM   34  O   UNL     1       5.644  -3.391   1.931  1.00  0.00           O  
HETATM   35  N   UNL     1      -4.194   1.596   1.492  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.583  -5.407  -1.000  1.00  0.00           N  
HETATM   37  H   UNL     1       3.233   2.114  -2.941  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.363   0.496  -2.179  1.00  0.00           H  
HETATM   39  H   UNL     1       4.509   1.195  -1.557  1.00  0.00           H  
HETATM   40  H   UNL     1       3.998   2.847  -1.135  1.00  0.00           H  
HETATM   41  H   UNL     1       3.668  -1.972   2.790  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.705  -3.493  -0.935  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.623  -2.441   0.455  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.833  -0.250   1.149  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.136  -2.741  -0.127  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.135  -2.774  -1.599  1.00  0.00           H  
HETATM   47  H   UNL     1       0.176  -1.581  -1.440  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.604   3.555   2.692  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.313   5.912   2.284  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.962   5.532   1.048  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.686   1.288  -4.409  1.00  0.00           H  
HETATM   52  H   UNL     1       1.606   2.098  -4.788  1.00  0.00           H  
HETATM   53  H   UNL     1       5.891   2.208   0.280  1.00  0.00           H  
HETATM   54  H   UNL     1       4.423   2.309   1.282  1.00  0.00           H  
HETATM   55  H   UNL     1       7.094  -2.113   0.416  1.00  0.00           H  
HETATM   56  H   UNL     1       3.365   0.354   2.118  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.639   1.970   1.014  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.915   1.288   2.064  1.00  0.00           H  
CONECT    1   23    2    2   37                                       
CONECT    2    1    1   21   25                                       
CONECT    3   22   21   21   38                                       
CONECT    4   18   18                                                 
CONECT    5   25   26   39   40                                       
CONECT    6   33   33   27   28                                       
CONECT    7   30   30   29   41                                       
CONECT    8   24   31   31    9                                       
CONECT    9    8   17   10   10                                       
CONECT   10    9    9   11   13                                       
CONECT   11   12   12   10   15                                       
CONECT   12   31   35   11   11                                       
CONECT   13   10   32   32   42                                       
CONECT   14   15   15   32   43                                       
CONECT   15   11   14   14   44                                       
CONECT   16   32   36   36   36                                       
CONECT   17    9   45   46   47                                       
CONECT   18   35   19    4    4                                       
CONECT   19   18   20   20   48                                       
CONECT   20   19   19   49   50                                       
CONECT   21    3    3    2   24                                       
CONECT   22   23   23    3   51                                       
CONECT   23   22   22    1   52                                       
CONECT   24   21    8                                                 
CONECT   25    2    5                                                 
CONECT   26    5   27   53   54                                       
CONECT   27   26    6   30                                            
CONECT   28    6   29   55                                            
CONECT   29   28   34   34    7                                       
CONECT   30   27    7    7   56                                       
CONECT   31    8    8   12   57                                       
CONECT   32   13   13   14   16                                       
CONECT   33    6    6                                                 
CONECT   34   29   29                                                 
CONECT   35   12   18   58                                            
CONECT   36   16   16   16                                            
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
