COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.535  -1.369  -0.282  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.928  -0.674  -0.499  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.661   1.528  -0.376  1.00  0.00           O  
HETATM    4 CL   UNL     1      -7.603  -2.575   0.366  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -5.166  -1.507  -0.133  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.841   0.287  -0.084  1.00  0.00           N  
HETATM    7  O   UNL     1       8.181  -1.641  -2.078  1.00  0.00           O  
HETATM    8 CL   UNL     1      -4.516  -2.885   0.699  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -7.052  -0.274  -0.950  1.00  0.00           C  
HETATM   10  N   UNL     1       1.689   2.772   0.461  1.00  0.00           N  
HETATM   11  OXT UNL     1       8.535  -2.094   0.056  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.204   0.688  -1.467  1.00  0.00           C  
HETATM   13  N   UNL     1       1.291   1.434   0.344  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.837   0.559  -1.317  1.00  0.00           C  
HETATM   15  N   UNL     1       6.044  -2.800   0.667  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.313  -0.541  -0.652  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.161   0.420  -0.322  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.048   1.420   0.099  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.470   2.713   0.064  1.00  0.00           C  
HETATM   20  C   UNL     1       0.638   3.533   0.294  1.00  0.00           C  
HETATM   21  C   UNL     1       0.624   5.039   0.342  1.00  0.00           C  
HETATM   22  C   UNL     1       2.058   5.565   0.242  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.200   5.579  -0.828  1.00  0.00           C  
HETATM   24  C   UNL     1       0.002   5.502   1.661  1.00  0.00           C  
HETATM   25  C   UNL     1       1.639  -0.858   1.032  1.00  0.00           C  
HETATM   26  C   UNL     1       2.122   0.311   0.459  1.00  0.00           C  
HETATM   27  C   UNL     1       3.429   0.363   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.463  -1.959   1.138  1.00  0.00           C  
HETATM   29  C   UNL     1       3.770  -1.907   0.677  1.00  0.00           C  
HETATM   30  C   UNL     1       4.253  -0.746   0.111  1.00  0.00           C  
HETATM   31  C   UNL     1       4.625  -3.141   0.808  1.00  0.00           C  
HETATM   32  CA  UNL     1       6.265  -2.037  -0.572  1.00  0.00           C  
HETATM   33  C   UNL     1       5.669  -0.640  -0.394  1.00  0.00           C  
HETATM   34  C   UNL     1       7.744  -1.926  -0.841  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.520  -1.554  -0.520  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.443  -0.596  -0.041  1.00  0.00           H  
HETATM   37  H   UNL     1       9.138  -1.581  -2.202  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.120  -0.170  -1.069  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.611   1.542  -1.989  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.176   1.311  -1.722  1.00  0.00           H  
HETATM   41  H   UNL     1       6.619  -3.629   0.688  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.483   3.047  -0.110  1.00  0.00           H  
HETATM   43  H   UNL     1       2.501   5.236  -0.697  1.00  0.00           H  
HETATM   44  H   UNL     1       2.048   6.655   0.277  1.00  0.00           H  
HETATM   45  H   UNL     1       2.645   5.181   1.076  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.221   5.204  -0.757  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.209   6.669  -0.794  1.00  0.00           H  
HETATM   48  H   UNL     1       0.244   5.250  -1.768  1.00  0.00           H  
HETATM   49  H   UNL     1       0.589   5.117   2.495  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.008   6.591   1.696  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.019   5.127   1.732  1.00  0.00           H  
HETATM   52  H   UNL     1       0.623  -0.905   1.393  1.00  0.00           H  
HETATM   53  H   UNL     1       3.806   1.271  -0.447  1.00  0.00           H  
HETATM   54  H   UNL     1       2.087  -2.868   1.585  1.00  0.00           H  
HETATM   55  H   UNL     1       4.348  -3.855   0.032  1.00  0.00           H  
HETATM   56  H   UNL     1       4.459  -3.592   1.786  1.00  0.00           H  
HETATM   57  HA  UNL     1       5.775  -2.541  -1.405  1.00  0.00           H  
HETATM   58  H   UNL     1       5.674  -0.120  -1.351  1.00  0.00           H  
HETATM   59  H   UNL     1       6.268  -0.080   0.324  1.00  0.00           H  
CONECT    1    9    9    4    5                                       
CONECT    2   16   17   35                                            
CONECT    3   17   17                                                 
CONECT    4    1                                                      
CONECT    5    1   16   16    8                                       
CONECT    6   17   18   36                                            
CONECT    7   34   37                                                 
CONECT    8    5                                                      
CONECT    9    1    1   12   38                                       
CONECT   10   13   20   20                                            
CONECT   11   34   34                                                 
CONECT   12    9   14   14   39                                       
CONECT   13   10   26   18                                            
CONECT   14   12   12   16   40                                       
CONECT   15   32   31   41                                            
CONECT   16    2    5    5   14                                       
CONECT   17    2    3    3    6                                       
CONECT   18    6   13   19   19                                       
CONECT   19   18   18   20   42                                       
CONECT   20   10   10   19   21                                       
CONECT   21   20   23   24   22                                       
CONECT   22   21   43   44   45                                       
CONECT   23   21   46   47   48                                       
CONECT   24   21   49   50   51                                       
CONECT   25   28   28   26   52                                       
CONECT   26   13   25   27   27                                       
CONECT   27   26   26   30   53                                       
CONECT   28   25   25   29   54                                       
CONECT   29   28   30   30   31                                       
CONECT   30   27   29   29   33                                       
CONECT   31   15   29   55   56                                       
CONECT   32   15   34   33   57                                       
CONECT   33   30   32   58   59                                       
CONECT   34    7   11   11   32                                       
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
