COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.173  -3.139   0.104  1.00  0.00           C  
HETATM    2  C   UNL     1       0.393  -4.365   0.503  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.028  -5.327  -0.610  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.155   3.670  -1.141  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.839   0.796   0.091  1.00  0.00           C  
HETATM    6  C   UNL     1       3.268  -2.100  -0.406  1.00  0.00           C  
HETATM    7  C   UNL     1       3.482   1.251  -0.043  1.00  0.00           C  
HETATM    8  C   UNL     1       2.552  -3.224  -0.040  1.00  0.00           C  
HETATM    9  C   UNL     1       3.940   3.168   1.767  1.00  0.00           C  
HETATM   10  C   UNL     1       2.972   1.150   1.249  1.00  0.00           C  
HETATM   11  C   UNL     1       4.236   2.376  -0.368  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.877   1.176   0.931  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.697  -0.536  -0.273  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.764   0.228   1.402  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.611   1.570  -0.619  1.00  0.00           C  
HETATM   16  C   UNL     1       1.180  -0.901  -0.460  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.941   1.757  -0.394  1.00  0.00           N  
HETATM   18  N   UNL     1       0.537  -2.009  -0.106  1.00  0.00           N  
HETATM   19  C   UNL     1       0.423   0.348  -0.680  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.897   0.392  -0.412  1.00  0.00           N  
HETATM   21  C   UNL     1       2.572  -0.909  -0.619  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.250   3.081  -0.732  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.108   2.746  -1.086  1.00  0.00           C  
HETATM   24  N   UNL     1       3.247   0.248  -0.988  1.00  0.00           N  
HETATM   25  C   UNL     1       1.087  -5.721   0.361  1.00  0.00           C  
HETATM   26  O   UNL     1       0.991   1.337  -1.102  1.00  0.00           O  
HETATM   27  N   UNL     1       3.221   2.119   2.114  1.00  0.00           N  
HETATM   28  N   UNL     1       4.440   3.301   0.555  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.587  -1.479   0.201  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.619  -1.098   1.038  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.291  -4.235   1.342  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.989  -5.830  -0.503  1.00  0.00           H  
HETATM   33  H   UNL     1       0.259  -5.073  -1.630  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.076   4.695  -1.470  1.00  0.00           H  
HETATM   35  H   UNL     1       4.340  -2.142  -0.523  1.00  0.00           H  
HETATM   36  H   UNL     1       3.060  -4.161   0.133  1.00  0.00           H  
HETATM   37  H   UNL     1       4.124   3.941   2.498  1.00  0.00           H  
HETATM   38  H   UNL     1       2.382   0.294   1.539  1.00  0.00           H  
HETATM   39  H   UNL     1       4.650   2.491  -1.360  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.990   2.212   1.217  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.890  -0.834  -0.927  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.572   0.523   2.056  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.350  -0.397  -0.075  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.080   2.933  -1.361  1.00  0.00           H  
HETATM   45  H   UNL     1       3.556   0.359  -1.900  1.00  0.00           H  
HETATM   46  H   UNL     1       2.108  -5.727  -0.022  1.00  0.00           H  
HETATM   47  H   UNL     1       0.860  -6.484   1.106  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.477  -2.515  -0.082  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.314  -1.837   1.408  1.00  0.00           H  
CONECT    1   18   18    2    8                                       
CONECT    2    1    3   25   31                                       
CONECT    3    2   25   32   33                                       
CONECT    4   22   22   23   34                                       
CONECT    5   17   12   12   13                                       
CONECT    6   21    8    8   35                                       
CONECT    7   24   11   11   10                                       
CONECT    8    1    6    6   36                                       
CONECT    9   27   28   28   37                                       
CONECT   10   27   27    7   38                                       
CONECT   11   28    7    7   39                                       
CONECT   12    5    5   14   40                                       
CONECT   13    5   29   29   41                                       
CONECT   14   12   30   30   42                                       
CONECT   15   20   17   23   23                                       
CONECT   16   21   21   18   19                                       
CONECT   17   15   22    5                                            
CONECT   18   16    1    1                                            
CONECT   19   16   20   26   26                                       
CONECT   20   15   19   43                                            
CONECT   21   16   16    6   24                                       
CONECT   22   17    4    4                                            
CONECT   23   15   15    4   44                                       
CONECT   24   21    7   45                                            
CONECT   25    2    3   46   47                                       
CONECT   26   19   19                                                 
CONECT   27   10   10    9                                            
CONECT   28   11    9    9                                            
CONECT   29   13   13   30   48                                       
CONECT   30   14   14   29   49                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
