COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.856  -1.634  -0.076  1.00  0.00           C  
HETATM    2  N   UNL     1       2.167  -2.781   0.564  1.00  0.00           N  
HETATM    3  N   UNL     1       0.996  -3.465   0.908  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.052  -2.773   0.496  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.449  -2.966   0.558  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.279  -2.041   0.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.788  -0.888  -0.612  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.883   0.240  -0.560  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.248   2.169   0.636  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.903   1.140  -1.207  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.137   1.202  -0.346  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.380   2.226   1.426  1.00  0.00           C  
HETATM   13  N   UNL     1       5.657   2.525   1.557  1.00  0.00           N  
HETATM   14  S   UNL     1       6.155   1.216   0.674  1.00  0.00           S  
HETATM   15  O   UNL     1       7.141   1.694  -0.231  1.00  0.00           O  
HETATM   16  O   UNL     1       6.396   0.171   1.605  1.00  0.00           O  
HETATM   17  C   UNL     1       4.787   0.700  -0.310  1.00  0.00           C  
HETATM   18  C   UNL     1       4.608   1.229  -1.577  1.00  0.00           C  
HETATM   19  C   UNL     1       3.537   0.830  -2.356  1.00  0.00           C  
HETATM   20  C   UNL     1       2.639  -0.100  -1.875  1.00  0.00           C  
HETATM   21  C   UNL     1       2.813  -0.639  -0.598  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.692   0.033  -1.155  1.00  0.00           N  
HETATM   23  O   UNL     1      -4.134  -0.299   0.498  1.00  0.00           O  
HETATM   24  C   UNL     1      -8.405   1.319   1.232  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.297   0.356   0.246  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.160   0.292  -0.537  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.449  -0.643  -0.705  1.00  0.00           C  
HETATM   28  C   UNL     1       0.464  -1.564  -0.161  1.00  0.00           C  
HETATM   29  C   UNL     1       3.900  -0.234   0.182  1.00  0.00           C  
HETATM   30  H   UNL     1       3.068  -3.085   0.758  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.855  -3.845   1.035  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.347  -2.197   0.067  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.447   2.878   0.788  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.486   2.142  -1.317  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.164   0.746  -2.189  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.464   2.979   2.196  1.00  0.00           H  
HETATM   37  H   UNL     1       6.272   2.960   2.168  1.00  0.00           H  
HETATM   38  H   UNL     1       4.750   2.856   1.464  1.00  0.00           H  
HETATM   39  H   UNL     1       5.309   1.957  -1.958  1.00  0.00           H  
HETATM   40  H   UNL     1       3.404   1.247  -3.343  1.00  0.00           H  
HETATM   41  H   UNL     1       1.801  -0.408  -2.483  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.460   0.522  -1.960  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.290   1.363   1.849  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.098  -0.353   0.094  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.074  -0.464  -1.304  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.093   0.252  -1.193  1.00  0.00           H  
HETATM   47  H   UNL     1       4.042  -0.649   1.169  1.00  0.00           H  
CONECT    1   28   28    2   21                                       
CONECT    2    3    1   30                                            
CONECT    3    4    4    2                                            
CONECT    4    5   28    3    3                                       
CONECT    5    6    6    4   31                                       
CONECT    6    7    5    5   32                                       
CONECT    7   22    6   27   27                                       
CONECT    8   23   23   10   22                                       
CONECT    9   11   12   12   33                                       
CONECT   10    8   11   34   35                                       
CONECT   11   10   26   26    9                                       
CONECT   12    9    9   24   36                                       
CONECT   13   14   37   38                                            
CONECT   14   17   16   16   13                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   29   29   18   14                                       
CONECT   18   19   19   17   39                                       
CONECT   19   20   18   18   40                                       
CONECT   20   21   21   19   41                                       
CONECT   21    1   20   20   29                                       
CONECT   22    8    7   42                                            
CONECT   23    8    8                                                 
CONECT   24   25   25   12   43                                       
CONECT   25   26   24   24   44                                       
CONECT   26   11   11   25   45                                       
CONECT   27    7    7   28   46                                       
CONECT   28   27    4    1    1                                       
CONECT   29   21   17   17   47                                       
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
