COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.726   0.783  -1.182  1.00  0.00           C  
HETATM    2  C   UNL     1       7.071  -2.369   0.268  1.00  0.00           C  
HETATM    3  C   UNL     1       6.462  -3.426   0.872  1.00  0.00           C  
HETATM    4  C   UNL     1       5.076  -3.471   1.013  1.00  0.00           C  
HETATM    5  C   UNL     1       4.292  -2.458   0.551  1.00  0.00           C  
HETATM    6  C   UNL     1       1.191   3.093   0.587  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.290   0.460  -0.166  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.510   1.722   0.206  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.185   2.426   0.402  1.00  0.00           C  
HETATM   10  C   UNL     1       0.259   2.155   0.312  1.00  0.00           C  
HETATM   11  C   UNL     1       4.104  -0.284  -0.570  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.577   3.529   0.734  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.072   1.453   0.117  1.00  0.00           N  
HETATM   14  S   UNL     1       2.783   2.371   0.361  1.00  0.00           S  
HETATM   15  C   UNL     1       2.032   0.844  -0.091  1.00  0.00           C  
HETATM   16  N   UNL     1       0.744   0.964  -0.047  1.00  0.00           N  
HETATM   17  N   UNL     1       2.716  -0.309  -0.440  1.00  0.00           N  
HETATM   18  C   UNL     1       6.111   0.818  -1.317  1.00  0.00           C  
HETATM   19  C   UNL     1       6.888  -0.199  -0.852  1.00  0.00           C  
HETATM   20  C   UNL     1       4.885  -1.352  -0.078  1.00  0.00           C  
HETATM   21  C   UNL     1       6.293  -1.306  -0.222  1.00  0.00           C  
HETATM   22  H   UNL     1       4.132   1.600  -1.564  1.00  0.00           H  
HETATM   23  H   UNL     1       8.146  -2.348   0.165  1.00  0.00           H  
HETATM   24  H   UNL     1       7.062  -4.243   1.247  1.00  0.00           H  
HETATM   25  H   UNL     1       4.618  -4.321   1.497  1.00  0.00           H  
HETATM   26  H   UNL     1       3.220  -2.506   0.668  1.00  0.00           H  
HETATM   27  H   UNL     1       0.995   4.111   0.889  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.038   0.165  -1.185  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.028  -0.345   0.521  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.772   2.527  -0.481  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.761   2.018   1.225  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.760   0.573  -0.148  1.00  0.00           H  
HETATM   33  H   UNL     1       2.229  -1.134  -0.593  1.00  0.00           H  
HETATM   34  H   UNL     1       6.576   1.664  -1.800  1.00  0.00           H  
HETATM   35  H   UNL     1       7.961  -0.155  -0.967  1.00  0.00           H  
HETATM   36  C   UNL     1      -5.791   0.742  -0.073  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.540  -0.470  -0.431  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.970  -0.315  -0.127  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.719  -1.574  -0.569  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.149  -2.715   0.079  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.757  -2.897  -0.196  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.988  -1.651   0.250  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.042   1.037   0.946  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.052   1.547  -0.760  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.100  -0.171   0.946  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.363   0.550  -0.661  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.771  -1.487  -0.294  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.634  -1.689  -1.649  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.390  -3.766   0.349  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.615  -3.049  -1.265  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.935  -1.761  -0.009  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.087  -1.528   1.329  1.00  0.00           H  
CONECT    1   11   11   18   22                                       
CONECT    2   21    3    3   23                                       
CONECT    3    4    2    2   24                                       
CONECT    4    5    5    3   25                                       
CONECT    5   20    4    4   26                                       
CONECT    6   10   10   14   27                                       
CONECT    7    8   28   29   36                                       
CONECT    8    7   13   30   31                                       
CONECT    9   12   12   13   10                                       
CONECT   10    9    6    6   16                                       
CONECT   11   17    1    1   20                                       
CONECT   12    9    9                                                 
CONECT   13    8    9   32                                            
CONECT   14    6   15                                                 
CONECT   15   16   16   14   17                                       
CONECT   16   10   15   15                                            
CONECT   17   15   11   33                                            
CONECT   18    1   19   19   34                                       
CONECT   19   18   18   21   35                                       
CONECT   20   11    5   21   21                                       
CONECT   21   20   20   19    2                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36    7   37   43   44                                       
CONECT   37   36   38   42                                            
CONECT   38   37   39   45   46                                       
CONECT   39   38   40   47   48                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   49   50                                       
CONECT   42   41   37   51   52                                       
CONECT   43   36                                                      
CONECT   44   36                                                      
CONECT   45   38                                                      
CONECT   46   38                                                      
CONECT   47   39                                                      
CONECT   48   39                                                      
CONECT   49   41                                                      
CONECT   50   41                                                      
CONECT   51   42                                                      
CONECT   52   42                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
