COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.277   1.589  -0.088  1.00  0.00           C  
HETATM    2  C   UNL     1       0.329  -1.105  -0.598  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.842  -0.734   0.333  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.788  -2.130  -0.089  1.00  0.00           C  
HETATM    5  C   UNL     1       1.878   0.367  -0.991  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.635  -1.489  -0.735  1.00  0.00           C  
HETATM    7  C   UNL     1       3.220   0.974  -1.311  1.00  0.00           C  
HETATM    8  C   UNL     1       4.960  -0.686  -0.619  1.00  0.00           C  
HETATM    9  C   UNL     1       4.480   1.148   0.844  1.00  0.00           C  
HETATM   10  C   UNL     1       5.903  -1.154   0.277  1.00  0.00           C  
HETATM   11  C   UNL     1       6.131  -0.474   1.459  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.625   0.275  -0.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.262   0.165  -0.502  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.374  -0.887   0.006  1.00  0.00           C  
HETATM   15  N   UNL     1       0.739   1.073  -0.754  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.578   1.721   0.202  1.00  0.00           N  
HETATM   17  O   UNL     1      -1.610   2.590  -0.263  1.00  0.00           O  
HETATM   18  N   UNL     1       1.640  -0.908  -0.899  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.446  -2.249  -0.390  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.393   0.673   0.413  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.104  -1.417   1.676  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.564   0.854   0.671  1.00  0.00           O  
HETATM   23  C   UNL     1       4.248   0.464  -0.335  1.00  0.00           C  
HETATM   24  C   UNL     1       5.416   0.674   1.745  1.00  0.00           C  
HETATM   25  H   UNL     1      -2.383  -3.017   0.071  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.523  -0.985  -1.695  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.258  -2.509  -0.815  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.688  -1.512  -0.458  1.00  0.00           H  
HETATM   29  H   UNL     1       3.511   0.697  -2.324  1.00  0.00           H  
HETATM   30  H   UNL     1       3.155   2.060  -1.237  1.00  0.00           H  
HETATM   31  H   UNL     1       4.782  -1.217  -1.542  1.00  0.00           H  
HETATM   32  H   UNL     1       3.921   2.044   1.067  1.00  0.00           H  
HETATM   33  H   UNL     1       6.462  -2.051   0.054  1.00  0.00           H  
HETATM   34  H   UNL     1       6.868  -0.840   2.159  1.00  0.00           H  
HETATM   35  H   UNL     1       0.650   2.039  -0.762  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.949   2.615   0.264  1.00  0.00           H  
HETATM   37  H   UNL     1       0.006  -3.227  -0.463  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.177  -1.443   1.868  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.716  -2.435   1.648  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.606  -0.861   2.471  1.00  0.00           H  
HETATM   41  H   UNL     1       5.597   1.207   2.666  1.00  0.00           H  
CONECT    1   12   16   17   17                                       
CONECT    2   13   18   19   19                                       
CONECT    3   14   20    6   21                                       
CONECT    4   14   14   19   25                                       
CONECT    5   15   18   18    7                                       
CONECT    6    3   26   27   28                                       
CONECT    7    5   23   29   30                                       
CONECT    8   23   23   10   31                                       
CONECT    9   23   24   24   32                                       
CONECT   10    8   11   11   33                                       
CONECT   11   10   10   24   34                                       
CONECT   12   13   13   14    1                                       
CONECT   13   12   12    2   15                                       
CONECT   14   12    3    4    4                                       
CONECT   15   13    5   35                                            
CONECT   16    1   20   36                                            
CONECT   17    1    1                                                 
CONECT   18    2    5    5                                            
CONECT   19    2    2    4   37                                       
CONECT   20    3   16   22   22                                       
CONECT   21    3   38   39   40                                       
CONECT   22   20   20                                                 
CONECT   23    7    8    8    9                                       
CONECT   24    9    9   11   41                                       
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
