COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.496   2.909   0.538  1.00  0.00           C  
HETATM    2  C   UNL     1       5.310   0.175  -1.295  1.00  0.00           C  
HETATM    3  C   UNL     1       4.236  -0.509  -2.114  1.00  0.00           C  
HETATM    4  C   UNL     1       2.702  -0.523  -0.279  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.287   0.712   0.548  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.564   1.099   0.822  1.00  0.00           C  
HETATM    7  C   UNL     1       1.297  -0.068   0.121  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.038  -0.514  -0.523  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.558   0.359   0.392  1.00  0.00           N  
HETATM   10  O   UNL     1      -7.262  -1.240  -1.733  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.963  -0.456  -0.850  1.00  0.00           C  
HETATM   12  N   UNL     1      -7.912   0.223  -0.166  1.00  0.00           N  
HETATM   13  N   UNL     1      -8.564   1.764   1.489  1.00  0.00           N  
HETATM   14  N   UNL     1      -6.324   1.334   1.164  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.559  -0.214  -0.490  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.968   0.972   0.913  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.519  -0.867  -1.141  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.205  -0.605  -0.766  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.935   0.324   0.260  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.004  -1.075  -1.205  1.00  0.00           N  
HETATM   21  N   UNL     1       0.306  -0.763  -0.704  1.00  0.00           N  
HETATM   22  O   UNL     1       2.945  -0.159  -1.620  1.00  0.00           O  
HETATM   23  C   UNL     1       3.727   0.088   0.690  1.00  0.00           C  
HETATM   24  O   UNL     1       3.563  -0.793   1.840  1.00  0.00           O  
HETATM   25  C   UNL     1       3.360  -2.096   1.263  1.00  0.00           C  
HETATM   26  O   UNL     1       2.826  -1.931  -0.046  1.00  0.00           O  
HETATM   27  C   UNL     1       5.165  -0.123   0.207  1.00  0.00           C  
HETATM   28  O   UNL     1       5.238   1.604  -1.369  1.00  0.00           O  
HETATM   29  O   UNL     1       5.945   0.974   0.768  1.00  0.00           O  
HETATM   30  C   UNL     1       5.637   2.098  -0.078  1.00  0.00           C  
HETATM   31  H   UNL     1       3.541   2.472   0.247  1.00  0.00           H  
HETATM   32  H   UNL     1       4.586   2.895   1.624  1.00  0.00           H  
HETATM   33  H   UNL     1       4.549   3.938   0.182  1.00  0.00           H  
HETATM   34  H   UNL     1       6.293  -0.149  -1.638  1.00  0.00           H  
HETATM   35  H   UNL     1       4.321  -0.197  -3.155  1.00  0.00           H  
HETATM   36  H   UNL     1       4.366  -1.590  -2.051  1.00  0.00           H  
HETATM   37  H   UNL     1       1.124  -0.303   1.171  1.00  0.00           H  
HETATM   38  H   UNL     1       1.206   1.007  -0.031  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.054   0.900   1.020  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.849   0.086  -0.379  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.492   1.606   1.254  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.342   2.391   2.194  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.753   1.676   1.703  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.729  -1.572  -1.932  1.00  0.00           H  
HETATM   45  H   UNL     1       0.595  -1.399  -1.377  1.00  0.00           H  
HETATM   46  H   UNL     1       3.503   1.129   0.927  1.00  0.00           H  
HETATM   47  H   UNL     1       5.550  -1.106   0.476  1.00  0.00           H  
HETATM   48  C   UNL     1       6.877   2.983  -0.227  1.00  0.00           C  
HETATM   49  C   UNL     1       4.695  -2.840   1.188  1.00  0.00           C  
HETATM   50  C   UNL     1       2.378  -2.893   2.125  1.00  0.00           C  
HETATM   51  H   UNL     1       7.189   3.338   0.755  1.00  0.00           H  
HETATM   52  H   UNL     1       7.684   2.405  -0.678  1.00  0.00           H  
HETATM   53  H   UNL     1       6.641   3.835  -0.863  1.00  0.00           H  
HETATM   54  H   UNL     1       5.309  -2.572   2.049  1.00  0.00           H  
HETATM   55  H   UNL     1       4.514  -3.914   1.192  1.00  0.00           H  
HETATM   56  H   UNL     1       5.214  -2.562   0.271  1.00  0.00           H  
HETATM   57  H   UNL     1       1.433  -2.353   2.193  1.00  0.00           H  
HETATM   58  H   UNL     1       2.207  -3.869   1.672  1.00  0.00           H  
HETATM   59  H   UNL     1       2.794  -3.024   3.124  1.00  0.00           H  
CONECT    1   30   31   32   33                                       
CONECT    2   28   27    3   34                                       
CONECT    3    2   22   35   36                                       
CONECT    4   23   22    7   26                                       
CONECT    5   16   16   15   14                                       
CONECT    6   14   14   12   13                                       
CONECT    7    4   21   37   38                                       
CONECT    8   21    9   20   20                                       
CONECT    9    8   19   39                                            
CONECT   10   11   11                                                 
CONECT   11   15   10   10   12                                       
CONECT   12   11    6   40                                            
CONECT   13    6   41   42                                            
CONECT   14    5    6    6                                            
CONECT   15   17   17    5   11                                       
CONECT   16   19    5    5   43                                       
CONECT   17   18   15   15   44                                       
CONECT   18   20   19   19   17                                       
CONECT   19    9   18   18   16                                       
CONECT   20    8    8   18                                            
CONECT   21    7    8   45                                            
CONECT   22    3    4                                                 
CONECT   23   27   24    4   46                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   49   50                                       
CONECT   26    4   25                                                 
CONECT   27   29    2   23   47                                       
CONECT   28   30    2                                                 
CONECT   29   30   27                                                 
CONECT   30    1   28   29   48                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
CONECT   48   30   51   52   53                                       
CONECT   49   25   54   55   56                                       
CONECT   50   25   57   58   59                                       
CONECT   51   48                                                      
CONECT   52   48                                                      
CONECT   53   48                                                      
CONECT   54   49                                                      
CONECT   55   49                                                      
CONECT   56   49                                                      
CONECT   57   50                                                      
CONECT   58   50                                                      
CONECT   59   50                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
