COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.905  -3.633  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.330   0.488  -1.153  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.752   2.787  -1.613  1.00  0.00           C  
HETATM    4  C   UNL     1       3.309   0.903  -0.227  1.00  0.00           C  
HETATM    5  C   UNL     1       3.582   0.060  -1.238  1.00  0.00           C  
HETATM    6  N   UNL     1       1.748   1.863   1.392  1.00  0.00           N  
HETATM    7  C   UNL     1       1.965   1.014   0.386  1.00  0.00           C  
HETATM    8  C   UNL     1       0.909   0.233  -0.080  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.336   0.373   0.528  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.476   1.241   1.527  1.00  0.00           N  
HETATM   11  C   UNL     1       0.550   1.968   1.944  1.00  0.00           C  
HETATM   12  N   UNL     1       0.364   2.860   2.986  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.416  -0.383   0.099  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.229  -1.413  -0.926  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.896  -2.725  -0.263  1.00  0.00           C  
HETATM   16  N   UNL     1       0.353  -2.994   0.060  1.00  0.00           N  
HETATM   17  C   UNL     1       0.691  -4.129   0.641  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.264  -5.085   0.933  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.590  -4.835   0.612  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.746  -0.151   0.670  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.469   0.888  -0.148  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.987   1.452  -1.903  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.885   3.111  -0.587  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.273   2.167   0.103  1.00  0.00           N  
HETATM   25  C   UNL     1       4.401   1.661   0.200  1.00  0.00           C  
HETATM   26  C   UNL     1       5.522   1.412  -0.474  1.00  0.00           C  
HETATM   27  S   UNL     1       5.222   0.184  -1.695  1.00  0.00           S  
HETATM   28  H   UNL     1      -2.927  -3.407  -0.269  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.486  -0.562  -1.354  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.249   3.564  -2.174  1.00  0.00           H  
HETATM   31  H   UNL     1       2.864  -0.604  -1.697  1.00  0.00           H  
HETATM   32  H   UNL     1       1.052  -0.464  -0.892  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.509   2.946   3.400  1.00  0.00           H  
HETATM   34  H   UNL     1       1.106   3.398   3.302  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.145  -1.520  -1.505  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.412  -1.123  -1.587  1.00  0.00           H  
HETATM   37  H   UNL     1       1.725  -4.314   0.891  1.00  0.00           H  
HETATM   38  H   UNL     1       0.018  -6.012   1.408  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.357  -5.564   0.829  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.313  -1.082   0.659  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.644   0.201   1.696  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.665   1.169  -2.694  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.696   4.148  -0.355  1.00  0.00           H  
HETATM   44  H   UNL     1       4.342   2.383   1.001  1.00  0.00           H  
HETATM   45  H   UNL     1       6.473   1.893  -0.297  1.00  0.00           H  
CONECT    1   15   15   19   28                                       
CONECT    2   22   22   21   29                                       
CONECT    3   23   23   22   30                                       
CONECT    4    7   25    5    5                                       
CONECT    5    4    4   27   31                                       
CONECT    6   11    7    7                                            
CONECT    7    6    6    4    8                                       
CONECT    8    9    9    7   32                                       
CONECT    9   10   13    8    8                                       
CONECT   10   11   11    9                                            
CONECT   11   12   10   10    6                                       
CONECT   12   11   33   34                                            
CONECT   13    9   20   14                                            
CONECT   14   13   15   35   36                                       
CONECT   15   16   14    1    1                                       
CONECT   16   17   17   15                                            
CONECT   17   16   16   18   37                                       
CONECT   18   17   19   19   38                                       
CONECT   19   18   18    1   39                                       
CONECT   20   21   13   40   41                                       
CONECT   21    2   24   24   20                                       
CONECT   22    3    2    2   42                                       
CONECT   23    3    3   24   43                                       
CONECT   24   23   21   21                                            
CONECT   25    4   26   26   44                                       
CONECT   26   25   25   27   45                                       
CONECT   27    5   26                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
