COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.649  -0.589   0.259  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.833  -1.334   0.220  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.036  -0.655   0.294  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.028   0.665   0.398  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.726   0.737   0.364  1.00  0.00           N  
HETATM    6 CL   UNL     1      -1.912   0.751  -2.397  1.00  0.00          Cl  
HETATM    7  C   UNL     1      -1.727   1.487  -0.836  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.472   2.841  -0.735  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.324   3.428   0.509  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.432   2.661   1.655  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.687   1.307   1.561  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.840   0.716   0.315  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.105  -0.658   0.217  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.335  -1.263   0.189  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.895   1.339   0.432  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.122  -2.557   0.090  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.858  -2.785   0.054  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.197  -1.659   0.123  1.00  0.00           C  
HETATM   19  C   UNL     1       0.302  -1.504   0.106  1.00  0.00           C  
HETATM   20  C   UNL     1       1.391  -2.594   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       1.233  -0.886   1.179  1.00  0.00           C  
HETATM   22  C   UNL     1       1.192  -0.730  -0.899  1.00  0.00           C  
HETATM   23  C   UNL     1       2.255  -1.315   0.064  1.00  0.00           C  
HETATM   24  N   UNL     1       3.714  -1.186   0.045  1.00  0.00           N  
HETATM   25  C   UNL     1       4.283   0.034   0.109  1.00  0.00           C  
HETATM   26  O   UNL     1       3.586   1.027   0.182  1.00  0.00           O  
HETATM   27  C   UNL     1       5.759   0.165   0.090  1.00  0.00           C  
HETATM   28  N   UNL     1       6.515  -0.923   0.010  1.00  0.00           N  
HETATM   29  C   UNL     1       7.828  -0.851  -0.010  1.00  0.00           C  
HETATM   30  C   UNL     1       8.475   0.373   0.053  1.00  0.00           C  
HETATM   31  C   UNL     1       7.723   1.535   0.137  1.00  0.00           C  
HETATM   32  C   UNL     1       6.341   1.429   0.150  1.00  0.00           C  
HETATM   33  H   UNL     1      -5.808  -2.410   0.134  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.971  -1.195   0.267  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.387   3.442  -1.628  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.124   4.486   0.585  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.316   3.122   2.624  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.770   0.709   2.457  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.926   2.415   0.517  1.00  0.00           H  
HETATM   40  H   UNL     1       1.473  -3.246   0.872  1.00  0.00           H  
HETATM   41  H   UNL     1       1.422  -3.123  -0.950  1.00  0.00           H  
HETATM   42  H   UNL     1       1.115   0.188   1.327  1.00  0.00           H  
HETATM   43  H   UNL     1       1.306  -1.454   2.106  1.00  0.00           H  
HETATM   44  H   UNL     1       1.227  -1.153  -1.903  1.00  0.00           H  
HETATM   45  H   UNL     1       1.072   0.353  -0.880  1.00  0.00           H  
HETATM   46  H   UNL     1       4.270  -1.978  -0.013  1.00  0.00           H  
HETATM   47  H   UNL     1       8.410  -1.758  -0.076  1.00  0.00           H  
HETATM   48  H   UNL     1       9.554   0.421   0.037  1.00  0.00           H  
HETATM   49  H   UNL     1       8.204   2.501   0.188  1.00  0.00           H  
HETATM   50  H   UNL     1       5.725   2.313   0.210  1.00  0.00           H  
CONECT    1    2    2    5   14                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3   15                                            
CONECT    5    1   15   15                                            
CONECT    6    7                                                      
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   12   12   38                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12   14   18                                            
CONECT   14    1   13   16   16                                       
CONECT   15    4    5    5   39                                       
CONECT   16   14   14   17                                            
CONECT   17   16   18   18                                            
CONECT   18   13   17   17   19                                       
CONECT   19   18   20   21   22                                       
CONECT   20   19   23   40   41                                       
CONECT   21   19   23   42   43                                       
CONECT   22   19   23   44   45                                       
CONECT   23   20   21   22   24                                       
CONECT   24   23   25   46                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   32                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   47                                       
CONECT   30   29   29   31   48                                       
CONECT   31   30   32   32   49                                       
CONECT   32   27   31   31   50                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
