COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.757   2.455  -0.696  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.438   2.309  -1.407  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.997   0.375  -0.647  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.361   0.120  -1.291  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.202  -0.724  -0.368  1.00  0.00           C  
HETATM    6  C   UNL     1       2.908  -0.624   1.132  1.00  0.00           C  
HETATM    7  C   UNL     1       3.517  -3.877  -1.420  1.00  0.00           C  
HETATM    8  C   UNL     1       4.346  -1.868  -0.318  1.00  0.00           C  
HETATM    9  C   UNL     1       4.125  -0.780   0.542  1.00  0.00           C  
HETATM   10  O   UNL     1       1.565   0.370   3.067  1.00  0.00           O  
HETATM   11  S   UNL     1       2.635   0.743   2.210  1.00  0.00           S  
HETATM   12  O   UNL     1       3.913   1.138   2.689  1.00  0.00           O  
HETATM   13  C   UNL     1       5.589  -2.062  -0.946  1.00  0.00           C  
HETATM   14  C   UNL     1       5.766  -3.127  -1.773  1.00  0.00           C  
HETATM   15  C   UNL     1       4.733  -4.032  -2.010  1.00  0.00           C  
HETATM   16  C   UNL     1       3.295  -2.788  -0.559  1.00  0.00           C  
HETATM   17  C   UNL     1       2.050  -2.588   0.059  1.00  0.00           C  
HETATM   18  C   UNL     1       1.873  -1.525   0.891  1.00  0.00           C  
HETATM   19  N   UNL     1       2.076   1.995   1.282  1.00  0.00           N  
HETATM   20  C   UNL     1       0.891   1.856   0.566  1.00  0.00           C  
HETATM   21  C   UNL     1       1.871   3.228  -1.271  1.00  0.00           C  
HETATM   22  O   UNL     1       2.908   3.353  -0.650  1.00  0.00           O  
HETATM   23  O   UNL     1       1.740   3.797  -2.485  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.162   1.123   1.098  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.337   0.984   0.389  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.478   1.576  -0.863  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.984   1.391  -1.758  1.00  0.00           S  
HETATM   28  C   UNL     1      -7.016  -0.120   0.572  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.787  -0.895   1.419  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.744  -2.273   1.325  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.930  -2.877   0.386  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.163  -2.102  -0.465  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.549   2.767  -2.379  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.133   0.897   0.300  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.496  -0.577  -0.469  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.862   1.072  -1.469  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.225  -0.402  -2.238  1.00  0.00           H  
HETATM   38  H   UNL     1       2.725  -4.586  -1.613  1.00  0.00           H  
HETATM   39  H   UNL     1       4.916  -0.070   0.735  1.00  0.00           H  
HETATM   40  H   UNL     1       6.399  -1.369  -0.772  1.00  0.00           H  
HETATM   41  H   UNL     1       6.722  -3.274  -2.254  1.00  0.00           H  
HETATM   42  H   UNL     1       4.901  -4.870  -2.671  1.00  0.00           H  
HETATM   43  H   UNL     1       1.237  -3.277  -0.122  1.00  0.00           H  
HETATM   44  H   UNL     1       0.918  -1.379   1.372  1.00  0.00           H  
HETATM   45  H   UNL     1       2.574   2.826   1.238  1.00  0.00           H  
HETATM   46  H   UNL     1       2.498   4.295  -2.821  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.061   0.661   2.069  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.153   0.413   0.808  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.049   0.957   0.645  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.422  -0.423   2.153  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.346  -2.878   1.987  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.896  -3.954   0.313  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.528  -2.574  -1.200  1.00  0.00           H  
CONECT    1   20   20   21    2                                       
CONECT    2    1   26   26   33                                       
CONECT    3    4   27   34   35                                       
CONECT    4    5    3   36   37                                       
CONECT    5   32   32   28    4                                       
CONECT    6   18   18    9   11                                       
CONECT    7   15   15   16   38                                       
CONECT    8   16   13    9    9                                       
CONECT    9    8    8    6   39                                       
CONECT   10   11   11                                                 
CONECT   11   12   12    6   10                                       
CONECT   11   10   19                                                 
CONECT   12   11   11                                                 
CONECT   13   14   14    8   40                                       
CONECT   14   15   13   13   41                                       
CONECT   15    7    7   14   42                                       
CONECT   16    7   17   17    8                                       
CONECT   17   16   16   18   43                                       
CONECT   18   17    6    6   44                                       
CONECT   19   11   20   45                                            
CONECT   20   19    1    1   24                                       
CONECT   21   22   22   23    1                                       
CONECT   22   21   21                                                 
CONECT   23   21   46                                                 
CONECT   24   20   25   25   47                                       
CONECT   25   24   24   26   48                                       
CONECT   26    2    2   25   27                                       
CONECT   27   26    3                                                 
CONECT   28   29   29    5   49                                       
CONECT   29   30   28   28   50                                       
CONECT   30   31   31   29   51                                       
CONECT   31   30   30   32   52                                       
CONECT   32   31    5    5   53                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
