COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.696  -2.287  -0.317  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.247  -1.280   0.058  1.00  0.00           C  
HETATM    3  O   UNL     1     -11.579  -1.267   0.226  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.142   0.941   0.349  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.961  -0.320   0.067  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.441  -0.038   0.336  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.685   0.663   0.085  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.335  -0.435  -0.292  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.769   1.636   0.267  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.792   0.980  -0.799  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.094   1.766   0.305  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.411   1.983   0.658  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.433   1.416  -0.091  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.131   0.631  -1.196  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.814   0.417  -1.551  1.00  0.00           C  
HETATM   16  N   UNL     1       0.545   0.760  -1.157  1.00  0.00           N  
HETATM   17  C   UNL     1       1.488   0.645  -0.201  1.00  0.00           C  
HETATM   18  O   UNL     1       1.195   0.810   0.964  1.00  0.00           O  
HETATM   19  C   UNL     1       5.102  -2.461   0.649  1.00  0.00           C  
HETATM   20  C   UNL     1       5.631  -1.292  -0.186  1.00  0.00           C  
HETATM   21  C   UNL     1       9.217   0.080  -0.983  1.00  0.00           C  
HETATM   22  C   UNL     1       5.226  -1.505  -1.644  1.00  0.00           C  
HETATM   23  C   UNL     1       3.580  -2.352   0.757  1.00  0.00           C  
HETATM   24  C   UNL     1       3.203  -1.022   1.399  1.00  0.00           C  
HETATM   25  O   UNL     1       3.492   1.324   1.476  1.00  0.00           O1-
HETATM   26  C   UNL     1       2.908   0.312  -0.581  1.00  0.00           C  
HETATM   27  N   UNL     1       3.707   0.123   0.634  1.00  0.00           N1+
HETATM   28  C   UNL     1       5.131   0.024   0.378  1.00  0.00           C  
HETATM   29  C   UNL     1       5.662   1.191  -0.457  1.00  0.00           C  
HETATM   30  C   UNL     1       7.148   1.370  -0.129  1.00  0.00           C  
HETATM   31  C   UNL     1       7.892   0.041  -0.216  1.00  0.00           C  
HETATM   32  C   UNL     1       7.161  -1.291  -0.148  1.00  0.00           C  
HETATM   33  O   UNL     1       7.848  -0.766   0.975  1.00  0.00           O  
HETATM   34  H   UNL     1     -12.097  -2.064   0.048  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.273   1.234   1.391  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.482   1.748  -0.300  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.830  -0.613  -0.975  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.621  -1.127   0.717  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.571   0.255   1.377  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.780   0.769  -0.314  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.036   2.488   0.647  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.299   2.207   0.888  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.646   2.594   1.517  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.926   0.190  -1.779  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.579  -0.194  -2.411  1.00  0.00           H  
HETATM   46  H   UNL     1       0.791   0.689  -2.093  1.00  0.00           H  
HETATM   47  H   UNL     1       5.371  -3.402   0.168  1.00  0.00           H  
HETATM   48  H   UNL     1       5.544  -2.424   1.646  1.00  0.00           H  
HETATM   49  H   UNL     1       9.703   1.042  -0.820  1.00  0.00           H  
HETATM   50  H   UNL     1       9.867  -0.719  -0.627  1.00  0.00           H  
HETATM   51  H   UNL     1       9.025  -0.054  -2.047  1.00  0.00           H  
HETATM   52  H   UNL     1       5.557  -0.655  -2.241  1.00  0.00           H  
HETATM   53  H   UNL     1       5.690  -2.417  -2.020  1.00  0.00           H  
HETATM   54  H   UNL     1       4.142  -1.596  -1.711  1.00  0.00           H  
HETATM   55  H   UNL     1       3.118  -2.452  -0.221  1.00  0.00           H  
HETATM   56  H   UNL     1       3.214  -3.169   1.392  1.00  0.00           H  
HETATM   57  H   UNL     1       2.113  -0.952   1.469  1.00  0.00           H  
HETATM   58  H   UNL     1       3.614  -0.982   2.412  1.00  0.00           H  
HETATM   59  H   UNL     1       3.328   1.127  -1.169  1.00  0.00           H  
HETATM   60  H   UNL     1       2.921  -0.605  -1.170  1.00  0.00           H  
HETATM   61  H   UNL     1       5.624   0.133   1.380  1.00  0.00           H  
HETATM   62  H   UNL     1       5.132   2.107  -0.170  1.00  0.00           H  
HETATM   63  H   UNL     1       5.535   1.028  -1.518  1.00  0.00           H  
HETATM   64  H   UNL     1       7.244   1.773   0.880  1.00  0.00           H  
HETATM   65  H   UNL     1       7.585   2.074  -0.838  1.00  0.00           H  
HETATM   66  H   UNL     1       7.623  -2.131  -0.663  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2   34                                                 
CONECT    4    5    7   35   36                                       
CONECT    5    4    6   37   38                                       
CONECT    6    2    5   39   40                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   13   41                                            
CONECT   10   11   11   15   16                                       
CONECT   11   10   10   12   42                                       
CONECT   12   11   13   13   43                                       
CONECT   13    9   12   12   14                                       
CONECT   14   13   15   15   44                                       
CONECT   15   10   14   14   45                                       
CONECT   16   10   17   46                                            
CONECT   17   16   18   18   26                                       
CONECT   18   17   17                                                 
CONECT   19   20   23   47   48                                       
CONECT   20   19   22   28   32                                       
CONECT   21   31   49   50   51                                       
CONECT   22   20   52   53   54                                       
CONECT   23   19   24   55   56                                       
CONECT   24   23   27   57   58                                       
CONECT   25   27                                                      
CONECT   26   17   27   59   60                                       
CONECT   27   24   25   26   28                                       
CONECT   28   20   27   29   61                                       
CONECT   29   28   30   62   63                                       
CONECT   30   29   31   64   65                                       
CONECT   31   21   30   32   33                                       
CONECT   32   20   31   33   66                                       
CONECT   33   31   32                                                 
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
