COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.175   3.594  -0.992  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.114   2.096  -2.747  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.247   2.948  -0.319  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.606   0.002  -1.340  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.001   1.033   0.882  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.784   0.325   2.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.654  -0.052   3.006  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.376  -0.031   2.144  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.699  -1.402   2.185  1.00  0.00           C  
HETATM   10  O   UNL     1       2.103  -2.153  -0.821  1.00  0.00           O  
HETATM   11  C   UNL     1       4.294  -1.528  -1.628  1.00  0.00           C  
HETATM   12  C   UNL     1       5.508  -2.011  -2.452  1.00  0.00           C  
HETATM   13  C   UNL     1       6.717  -1.329  -1.775  1.00  0.00           C  
HETATM   14  N   UNL     1      -9.606   3.189  -2.172  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.125   1.369  -2.064  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.700   1.841  -0.811  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.742   0.959  -0.379  1.00  0.00           N  
HETATM   18  N   UNL     1      -7.418   0.243  -2.327  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.772   0.280   0.796  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.457  -1.342   1.480  1.00  0.00           O  
HETATM   21  P   UNL     1      -1.476  -2.608   1.322  1.00  0.00           P  
HETATM   22  O   UNL     1      -0.916  -3.037   2.770  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.222  -3.740   0.727  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.243  -2.216   0.365  1.00  0.00           O  
HETATM   25  P   UNL     1       0.816  -3.066  -0.501  1.00  0.00           P  
HETATM   26  O   UNL     1       0.131  -3.530  -1.881  1.00  0.00           O  
HETATM   27  O   UNL     1       1.236  -4.259   0.268  1.00  0.00           O  
HETATM   28  C   UNL     1       3.266  -2.652  -1.484  1.00  0.00           C  
HETATM   29  C   UNL     1       6.091  -0.514  -0.621  1.00  0.00           C  
HETATM   30  O   UNL     1       4.840  -1.178  -0.338  1.00  0.00           O  
HETATM   31  N   UNL     1       6.962  -0.544   0.556  1.00  0.00           N  
HETATM   32  C   UNL     1       7.579   0.612   0.987  1.00  0.00           C  
HETATM   33  C   UNL     1       7.305   1.786   0.385  1.00  0.00           C  
HETATM   34  C   UNL     1       7.843   2.986   0.901  1.00  0.00           C  
HETATM   35  C   UNL     1       7.567   4.170   0.294  1.00  0.00           C  
HETATM   36  C   UNL     1       8.123   5.412   0.827  1.00  0.00           C  
HETATM   37  O   UNL     1       8.834   5.385   1.816  1.00  0.00           O  
HETATM   38  N   UNL     1       7.849   6.586   0.226  1.00  0.00           N  
HETATM   39  O   UNL     1       6.772   4.200  -0.811  1.00  0.00           O  
HETATM   40  C   UNL     1       7.162  -1.701   1.217  1.00  0.00           C  
HETATM   41  O   UNL     1       7.807  -1.709   2.244  1.00  0.00           O  
HETATM   42  O   UNL     1       7.385  -0.465  -2.696  1.00  0.00           O  
HETATM   43  O   UNL     1       5.390  -1.587  -3.812  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.563   0.912   4.057  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.718   1.219   2.627  1.00  0.00           O  
HETATM   46  N   UNL     1      -9.573   1.679  -3.984  1.00  0.00           N  
HETATM   47  H   UNL     1      -9.602   4.488  -0.561  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.924  -0.835  -1.289  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.797   2.071   1.146  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.288  -0.566   1.645  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.823  -1.048   3.414  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.692   0.732   2.514  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.514  -1.685   3.222  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.347  -2.143   1.717  1.00  0.00           H  
HETATM   55  H   UNL     1       3.838  -0.656  -2.098  1.00  0.00           H  
HETATM   56  H   UNL     1       5.599  -3.096  -2.398  1.00  0.00           H  
HETATM   57  H   UNL     1       7.407  -2.076  -1.384  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.415  -2.343   3.219  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.170  -2.798  -2.437  1.00  0.00           H  
HETATM   60  H   UNL     1       3.697  -3.465  -0.900  1.00  0.00           H  
HETATM   61  H   UNL     1       2.990  -3.021  -2.472  1.00  0.00           H  
HETATM   62  H   UNL     1       5.912   0.514  -0.936  1.00  0.00           H  
HETATM   63  H   UNL     1       8.281   0.576   1.806  1.00  0.00           H  
HETATM   64  H   UNL     1       6.675   1.810  -0.492  1.00  0.00           H  
HETATM   65  H   UNL     1       8.473   2.962   1.777  1.00  0.00           H  
HETATM   66  H   UNL     1       7.283   6.608  -0.562  1.00  0.00           H  
HETATM   67  H   UNL     1       8.218   7.411   0.580  1.00  0.00           H  
HETATM   68  H   UNL     1       6.633   5.086  -1.172  1.00  0.00           H  
HETATM   69  H   UNL     1       6.747  -2.621   0.833  1.00  0.00           H  
HETATM   70  H   UNL     1       7.746  -0.919  -3.470  1.00  0.00           H  
HETATM   71  H   UNL     1       6.126  -1.863  -4.375  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.340   0.942   4.631  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.232   0.822   3.343  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.262   2.186  -4.442  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.206   0.880  -4.393  1.00  0.00           H  
CONECT    1    3   14   14   47                                       
CONECT    2   15   15   14   46                                       
CONECT    3   16   16    1                                            
CONECT    4   17   18   18   48                                       
CONECT    5    6   19   17   49                                       
CONECT    6    7   45    5   50                                       
CONECT    7   44    8    6   51                                       
CONECT    8    7    9   19   52                                       
CONECT    9    8   20   53   54                                       
CONECT   10   28   25                                                 
CONECT   11   30   12   28   55                                       
CONECT   12   13   11   43   56                                       
CONECT   13   29   42   12   57                                       
CONECT   14    1    1    2                                            
CONECT   15   16   18    2    2                                       
CONECT   16   17    3    3   15                                       
CONECT   17    5   16    4                                            
CONECT   18    4    4   15                                            
CONECT   19    8    5                                                 
CONECT   20    9   21                                                 
CONECT   21   24   20   23   23                                       
CONECT   21   22                                                      
CONECT   22   21   58                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21                                                 
CONECT   25   10   27   27   26                                       
CONECT   25   24                                                      
CONECT   26   25   59                                                 
CONECT   27   25   25                                                 
CONECT   28   11   10   60   61                                       
CONECT   29   31   30   13   62                                       
CONECT   30   29   11                                                 
CONECT   31   32   29   40                                            
CONECT   32   33   33   31   63                                       
CONECT   33   34   32   32   64                                       
CONECT   34   35   35   33   65                                       
CONECT   35   36   39   34   34                                       
CONECT   36   38   37   37   35                                       
CONECT   37   36   36                                                 
CONECT   38   36   66   67                                            
CONECT   39   35   68                                                 
CONECT   40   31   41   41   69                                       
CONECT   41   40   40                                                 
CONECT   42   13   70                                                 
CONECT   43   12   71                                                 
CONECT   44    7   72                                                 
CONECT   45    6   73                                                 
CONECT   46    2   74   75                                            
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   22                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
CONECT   70   42                                                      
CONECT   71   43                                                      
CONECT   72   44                                                      
CONECT   73   45                                                      
CONECT   74   46                                                      
CONECT   75   46                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
