COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.921   2.641   0.086  1.00  0.00           C  
HETATM    2  O   UNL     1       6.005   0.286  -0.047  1.00  0.00           O  
HETATM    3  C   UNL     1       1.645   2.121   0.178  1.00  0.00           C  
HETATM    4  C   UNL     1       3.018   2.257   0.147  1.00  0.00           C  
HETATM    5  C   UNL     1       1.067   0.868   0.125  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.596  -3.014   0.018  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.508  -3.827  -0.058  1.00  0.00           C  
HETATM    8  C   UNL     1       1.905  -2.822  -0.102  1.00  0.00           C  
HETATM    9  C   UNL     1       3.256  -0.146   0.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.467   2.801   0.930  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.165   2.760  -1.083  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.611   1.277   0.926  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.256   1.235  -1.168  1.00  0.00           C  
HETATM   14  N   UNL     1       0.994  -3.789  -0.129  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.231  -1.085   0.086  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.550  -0.795   0.169  1.00  0.00           N  
HETATM   17  O   UNL     1      -4.320   3.269  -0.412  1.00  0.00           O  
HETATM   18  C   UNL     1       5.299   1.270   0.028  1.00  0.00           C  
HETATM   19  C   UNL     1       3.835   1.124   0.062  1.00  0.00           C  
HETATM   20  C   UNL     1       1.869  -0.273   0.039  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.430  -1.618   0.091  1.00  0.00           C  
HETATM   22  C   UNL     1       1.248  -1.613  -0.016  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.221  -3.256  -0.064  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.386   0.659   0.245  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.093  -1.894   0.008  1.00  0.00           N  
HETATM   26  H   UNL     1       7.007   2.549   0.050  1.00  0.00           H  
HETATM   27  H   UNL     1       5.578   3.232  -0.763  1.00  0.00           H  
HETATM   28  H   UNL     1       5.629   3.134   1.013  1.00  0.00           H  
HETATM   29  H   UNL     1       1.020   2.999   0.249  1.00  0.00           H  
HETATM   30  H   UNL     1       3.464   3.240   0.190  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.008   0.769   0.150  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.589  -3.440   0.019  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.630  -4.898  -0.114  1.00  0.00           H  
HETATM   34  H   UNL     1       2.975  -2.959  -0.140  1.00  0.00           H  
HETATM   35  H   UNL     1       3.881  -1.024  -0.059  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.356   3.249   1.375  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.589   3.082   1.512  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.269   3.040  -0.528  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.115   3.178  -2.089  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.680   0.915   1.951  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.512   0.998   0.379  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.129   0.954  -1.758  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.356   0.841  -1.640  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.438  -1.184   0.172  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.491   0.896   0.819  1.00  0.00           H  
CONECT    1   18   26   27   28                                       
CONECT    2   18   18                                                 
CONECT    3    4    4    5   29                                       
CONECT    4    3    3   19   30                                       
CONECT    5    3   20   20   31                                       
CONECT    6    7    7   21   32                                       
CONECT    7    6    6   23   33                                       
CONECT    8   14   22   22   34                                       
CONECT    9   19   19   20   35                                       
CONECT   10   12   17   36   37                                       
CONECT   11   13   17   38   39                                       
CONECT   12   10   24   40   41                                       
CONECT   13   11   24   42   43                                       
CONECT   14    8   23   23                                            
CONECT   15   21   21   25                                            
CONECT   16   21   24   44                                            
CONECT   17   10   11                                                 
CONECT   18    1    2    2   19                                       
CONECT   19    4    9    9   18                                       
CONECT   20    5    5    9   22                                       
CONECT   21    6   15   15   16                                       
CONECT   22    8    8   20   25                                       
CONECT   23    7   14   14   25                                       
CONECT   24   12   13   16   45                                       
CONECT   25   15   22   23                                            
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
