COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.911   1.714  -0.825  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.796   0.745  -1.755  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.109  -3.031   0.710  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.907   0.914  -0.500  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.031  -0.015   0.269  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.407  -0.503   0.646  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.413   0.228  -0.129  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.032   1.402   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.947   2.243   1.332  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.725   3.378   1.387  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.593   3.687   0.348  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.695   2.872  -0.741  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.934  -0.133  -1.380  1.00  0.00           N  
HETATM   14  N   UNL     1       0.060  -0.611   0.788  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.083  -1.819   1.605  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.245  -3.594   0.296  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.880  -4.973  -0.733  1.00  0.00           S  
HETATM   18  C   UNL     1       0.846  -4.699  -0.538  1.00  0.00           C  
HETATM   19  C   UNL     1       1.046  -3.641   0.249  1.00  0.00           C  
HETATM   20  C   UNL     1       1.331  -0.077   0.546  1.00  0.00           C  
HETATM   21  C   UNL     1       2.464  -0.781   0.933  1.00  0.00           C  
HETATM   22  C   UNL     1       3.717  -0.256   0.696  1.00  0.00           C  
HETATM   23  C   UNL     1       3.846   0.981   0.068  1.00  0.00           C  
HETATM   24  C   UNL     1       5.194   1.548  -0.189  1.00  0.00           C  
HETATM   25  C   UNL     1       5.465   2.744  -0.787  1.00  0.00           C  
HETATM   26  N   UNL     1       6.806   2.884  -0.829  1.00  0.00           N  
HETATM   27  N   UNL     1       7.383   1.751  -0.244  1.00  0.00           N  
HETATM   28  C   UNL     1       6.425   0.951   0.146  1.00  0.00           C  
HETATM   29  C   UNL     1       2.708   1.685  -0.320  1.00  0.00           C  
HETATM   30  C   UNL     1       1.457   1.154  -0.086  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.486  -1.568   0.431  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.574  -0.333   1.710  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.273   2.007   2.142  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.660   4.031   2.244  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.198   4.580   0.406  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.374   3.124  -1.542  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.013  -1.766   2.171  1.00  0.00           H  
HETATM   38  H   UNL     1       0.758  -1.894   2.294  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.238  -3.255   0.554  1.00  0.00           H  
HETATM   40  H   UNL     1       1.626  -5.297  -0.987  1.00  0.00           H  
HETATM   41  H   UNL     1       2.033  -3.287   0.508  1.00  0.00           H  
HETATM   42  H   UNL     1       2.364  -1.739   1.421  1.00  0.00           H  
HETATM   43  H   UNL     1       4.598  -0.803   0.998  1.00  0.00           H  
HETATM   44  H   UNL     1       4.738   3.450  -1.160  1.00  0.00           H  
HETATM   45  H   UNL     1       7.287   3.640  -1.200  1.00  0.00           H  
HETATM   46  H   UNL     1       6.555  -0.002   0.636  1.00  0.00           H  
HETATM   47  H   UNL     1       2.805   2.644  -0.807  1.00  0.00           H  
HETATM   48  H   UNL     1       0.574   1.697  -0.390  1.00  0.00           H  
CONECT    1   12   12    8    2                                       
CONECT    2    1   13   13                                            
CONECT    3   15   19   16   16                                       
CONECT    4    5    5                                                 
CONECT    5    6   14    4    4                                       
CONECT    6    7    5   31   32                                       
CONECT    7    8    6   13                                            
CONECT    8    9    9    1    7                                       
CONECT    9   10    8    8   33                                       
CONECT   10   11   11    9   34                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11    1    1   36                                       
CONECT   13    2    2    7                                            
CONECT   14   20    5   15                                            
CONECT   15   14    3   37   38                                       
CONECT   16    3    3   17   39                                       
CONECT   17   16   18                                                 
CONECT   18   19   19   17   40                                       
CONECT   19    3   18   18   41                                       
CONECT   20   21   14   30   30                                       
CONECT   21   22   22   20   42                                       
CONECT   22   21   21   23   43                                       
CONECT   23   22   24   29   29                                       
CONECT   24   25   25   23   28                                       
CONECT   25   26   24   24   44                                       
CONECT   26   25   27   45                                            
CONECT   27   26   28   28                                            
CONECT   28   24   27   27   46                                       
CONECT   29   23   23   30   47                                       
CONECT   30   20   20   29   48                                       
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
