COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.867   0.447  -0.150  1.00  0.00           C  
HETATM    2  N   UNL     1       3.827  -0.302  -1.304  1.00  0.00           N  
HETATM    3  O   UNL     1       6.166  -0.724  -0.049  1.00  0.00           O  
HETATM    4  C   UNL     1       4.487   0.836  -0.615  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.989   1.104  -0.573  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.184   0.891   0.358  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.233   1.286   0.033  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.105  -1.035  -0.090  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.636  -2.363   0.045  1.00  0.00           C  
HETATM   10  N   UNL     1       6.767   1.402   0.160  1.00  0.00           N  
HETATM   11  C   UNL     1       3.558   1.105   0.595  1.00  0.00           C  
HETATM   12  C   UNL     1       2.148   0.860   0.010  1.00  0.00           C  
HETATM   13  C   UNL     1       2.374  -0.035  -1.223  1.00  0.00           C  
HETATM   14  S   UNL     1       1.104   0.011   1.220  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.439   0.044   0.369  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.670   2.003   1.312  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.243  -3.279  -0.479  1.00  0.00           O  
HETATM   18  O   UNL     1       0.485  -2.614   0.754  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.317  -0.695  -0.715  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.458   0.760  -0.734  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.716   0.597   0.107  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.477  -0.874  -0.066  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.103  -1.860   0.261  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.852   2.497  -0.861  1.00  0.00           O  
HETATM   25  H   UNL     1       4.129  -0.368  -2.264  1.00  0.00           H  
HETATM   26  H   UNL     1       4.534   1.707  -1.269  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.148   0.555  -1.501  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.091   1.253  -0.126  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.288  -0.171   0.578  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.024   1.440   1.286  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.648   1.955  -0.597  1.00  0.00           H  
HETATM   32  H   UNL     1       6.527   2.338   0.083  1.00  0.00           H  
HETATM   33  H   UNL     1       7.655   1.152   0.459  1.00  0.00           H  
HETATM   34  H   UNL     1       3.766   0.405   1.405  1.00  0.00           H  
HETATM   35  H   UNL     1       3.660   2.135   0.938  1.00  0.00           H  
HETATM   36  H   UNL     1       1.692   1.805  -0.286  1.00  0.00           H  
HETATM   37  H   UNL     1       2.041   0.481  -2.123  1.00  0.00           H  
HETATM   38  H   UNL     1       1.830  -0.972  -1.106  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.107   1.281   2.002  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.804   2.474   1.778  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.410   2.765   1.067  1.00  0.00           H  
HETATM   42  H   UNL     1       0.770  -3.538   0.725  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.602   1.209  -1.716  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.610   0.947   1.134  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.707   3.048  -0.080  1.00  0.00           H  
CONECT    1   10    3    3    4                                       
CONECT    2    4   13   25                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   11   26                                       
CONECT    5   21   24    6   27                                       
CONECT    6    5   28   29   30                                       
CONECT    7   15   20   16   31                                       
CONECT    8   15   15    9   19                                       
CONECT    9   17   17    8   18                                       
CONECT   10    1   32   33                                            
CONECT   11    4   12   34   35                                       
CONECT   12   11   13   14   36                                       
CONECT   13    2   12   37   38                                       
CONECT   14   12   15                                                 
CONECT   15   14    7    8    8                                       
CONECT   16    7   39   40   41                                       
CONECT   17    9    9                                                 
CONECT   18    9   42                                                 
CONECT   19    8   20   22                                            
CONECT   20    7   19   21   43                                       
CONECT   21   20    5   22   44                                       
CONECT   22   19   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24    5   45                                                 
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
