COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.011   0.731   0.076  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.222   0.181   0.100  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.297   0.956   0.138  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.155   2.342   0.152  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.951   2.885   0.128  1.00  0.00           N  
HETATM    6  C   UNL     1       0.123   2.117   0.091  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.564   0.387   0.162  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.813  -0.373  -1.039  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.269  -0.251  -1.523  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.250  -0.311  -0.414  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.954  -1.307   0.586  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.140  -0.645   1.717  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.735  -0.479   1.352  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.617  -0.470  -0.927  1.00  0.00           C  
HETATM   15  C   UNL     1       3.444  -1.766  -0.028  1.00  0.00           C  
HETATM   16  C   UNL     1       2.184  -2.327  -0.003  1.00  0.00           C  
HETATM   17  C   UNL     1       1.062  -1.520   0.031  1.00  0.00           C  
HETATM   18  C   UNL     1       1.196  -0.132   0.040  1.00  0.00           C  
HETATM   19  C   UNL     1       2.462   0.443   0.015  1.00  0.00           C  
HETATM   20  C   UNL     1       3.593  -0.375  -0.019  1.00  0.00           C  
HETATM   21  C   UNL     1       4.937   0.224  -0.046  1.00  0.00           C  
HETATM   22  C   UNL     1       6.028  -0.569  -0.078  1.00  0.00           C  
HETATM   23  C   UNL     1       7.364   0.026  -0.105  1.00  0.00           C  
HETATM   24  O   UNL     1       8.455  -0.767  -0.137  1.00  0.00           O  
HETATM   25  O   UNL     1       7.491   1.235  -0.097  1.00  0.00           O  
HETATM   26  H   UNL     1      -3.030   2.974   0.183  1.00  0.00           H  
HETATM   27  H   UNL     1       1.105   2.565   0.072  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.149  -0.015  -1.826  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.595  -1.423  -0.844  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.388   0.698  -2.047  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.477  -1.063  -2.220  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.884  -1.707   0.991  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.370  -2.112   0.139  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.568   0.334   1.936  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.202  -1.266   2.610  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.306  -1.458   1.141  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.201  -0.034   2.192  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.702  -1.427  -1.442  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.323  -0.440  -0.097  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.840   0.339  -1.623  1.00  0.00           H  
HETATM   41  H   UNL     1       4.317  -2.402  -0.050  1.00  0.00           H  
HETATM   42  H   UNL     1       2.073  -3.401  -0.010  1.00  0.00           H  
HETATM   43  H   UNL     1       0.079  -1.966   0.051  1.00  0.00           H  
HETATM   44  H   UNL     1       2.570   1.518   0.022  1.00  0.00           H  
HETATM   45  H   UNL     1       5.050   1.298  -0.039  1.00  0.00           H  
HETATM   46  H   UNL     1       5.915  -1.643  -0.085  1.00  0.00           H  
HETATM   47  H   UNL     1       9.292  -0.283  -0.153  1.00  0.00           H  
CONECT    1   18    2    2    6                                       
CONECT    2    1    1    3                                            
CONECT    3    2    7    4    4                                       
CONECT    4    3    3    5   26                                       
CONECT    5    4    6    6                                            
CONECT    6    1    5    5   27                                       
CONECT    7    3    8   13                                            
CONECT    8    7    9   28   29                                       
CONECT    9    8   10   30   31                                       
CONECT   10    9   14   11                                            
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13    7   12   36   37                                       
CONECT   14   10   38   39   40                                       
CONECT   15   16   16   20   41                                       
CONECT   16   15   15   17   42                                       
CONECT   17   16   18   18   43                                       
CONECT   18    1   17   17   19                                       
CONECT   19   18   20   20   44                                       
CONECT   20   15   19   19   21                                       
CONECT   21   20   22   22   45                                       
CONECT   22   21   21   23   46                                       
CONECT   23   22   25   25   24                                       
CONECT   24   23   47                                                 
CONECT   25   23   23                                                 
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
