COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.533   1.672  -0.209  1.00  0.00           C  
HETATM    2  C   UNL     1       0.307   2.267   0.016  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.928   4.241   0.126  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.842   1.417   0.347  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.641  -0.039   0.426  1.00  0.00           C  
HETATM    6  C   UNL     1       0.645  -0.560   0.182  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.169   1.646   0.627  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.168   0.270   1.194  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.789  -0.697   0.219  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.782  -2.052   0.491  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.351  -2.939  -0.403  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.929  -2.471  -1.569  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.937  -1.116  -1.840  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.371  -0.228  -0.944  1.00  0.00           C  
HETATM   15  C   UNL     1       6.892  -1.990  -1.110  1.00  0.00           C  
HETATM   16  C   UNL     1       5.531  -1.396  -0.854  1.00  0.00           C  
HETATM   17  C   UNL     1       4.824  -1.758   0.278  1.00  0.00           C  
HETATM   18  C   UNL     1       3.576  -1.217   0.518  1.00  0.00           C  
HETATM   19 CL   UNL     1       2.689  -1.671   1.939  1.00  0.00          Cl  
HETATM   20  C   UNL     1       3.030  -0.303  -0.384  1.00  0.00           C  
HETATM   21  C   UNL     1       3.748   0.057  -1.522  1.00  0.00           C  
HETATM   22  C   UNL     1       4.996  -0.487  -1.749  1.00  0.00           C  
HETATM   23  C   UNL     1       1.690   0.282  -0.132  1.00  0.00           C  
HETATM   24  C   UNL     1       0.155   3.729  -0.074  1.00  0.00           C  
HETATM   25  O   UNL     1       1.219   4.499  -0.379  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.812  -0.568   0.735  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.754   0.460   0.860  1.00  0.00           N  
HETATM   28  H   UNL     1       2.385   2.289  -0.454  1.00  0.00           H  
HETATM   29  H   UNL     1       0.811  -1.625   0.235  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.655   2.610   0.654  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.687   1.227   1.137  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.252  -0.129   2.205  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.330  -2.418   1.401  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.345  -3.998  -0.192  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.373  -3.164  -2.268  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.388  -0.750  -2.750  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.381   0.831  -1.154  1.00  0.00           H  
HETATM   38  H   UNL     1       6.785  -2.906  -1.691  1.00  0.00           H  
HETATM   39  H   UNL     1       7.501  -1.277  -1.666  1.00  0.00           H  
HETATM   40  H   UNL     1       7.374  -2.217  -0.160  1.00  0.00           H  
HETATM   41  H   UNL     1       5.247  -2.466   0.975  1.00  0.00           H  
HETATM   42  H   UNL     1       3.331   0.764  -2.224  1.00  0.00           H  
HETATM   43  H   UNL     1       5.555  -0.205  -2.629  1.00  0.00           H  
HETATM   44  H   UNL     1       1.071   5.453  -0.427  1.00  0.00           H  
CONECT    1   23    2    2   28                                       
CONECT    2    1    1   24    4                                       
CONECT    3   24   24                                                 
CONECT    4    2    5    7    7                                       
CONECT    5    4    6   26   26                                       
CONECT    6   23   23    5   29                                       
CONECT    7    4    4   27   30                                       
CONECT    8   27    9   31   32                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   33                                       
CONECT   11   10   12   12   34                                       
CONECT   12   11   11   13   35                                       
CONECT   13   12   14   14   36                                       
CONECT   14    9   13   13   37                                       
CONECT   15   16   38   39   40                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   41                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   21   23                                       
CONECT   21   20   22   22   42                                       
CONECT   22   16   21   21   43                                       
CONECT   23   20    1    6    6                                       
CONECT   24    2   25    3    3                                       
CONECT   25   24   44                                                 
CONECT   26    5    5   27                                            
CONECT   27   26    7    8                                            
CONECT   28    1                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
