COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -6.963  -0.128  -0.206  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.527  -0.164  -0.156  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.192   0.529  -0.248  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.071  -0.495  -0.056  1.00  0.00           C  
HETATM    5  C   UNL     1       0.607  -1.037   0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       1.307  -3.070   0.425  1.00  0.00           C  
HETATM    7  N   UNL     1       1.377   4.076   1.317  1.00  0.00           N  
HETATM    8  N   UNL     1       1.549   5.145   1.617  1.00  0.00           N1+
HETATM    9  C   UNL     1       2.442  -2.251   0.312  1.00  0.00           C  
HETATM   10  C   UNL     1       2.790   0.229  -0.085  1.00  0.00           C  
HETATM   11  C   UNL     1       2.723   2.543  -0.032  1.00  0.00           C  
HETATM   12  C   UNL     1       3.121   2.170  -1.473  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.083   0.896  -0.398  1.00  0.00           C  
HETATM   14  C   UNL     1       1.661   3.645  -0.054  1.00  0.00           C  
HETATM   15  C   UNL     1       2.806   0.658  -1.574  1.00  0.00           C  
HETATM   16  C   UNL     1       1.499  -4.442   0.651  1.00  0.00           C  
HETATM   17  C   UNL     1       3.780  -4.091   0.635  1.00  0.00           C  
HETATM   18  N   UNL     1      -9.384   0.221  -0.308  1.00  0.00           N  
HETATM   19  N   UNL     1       1.721   6.214   1.918  1.00  0.00           N  
HETATM   20  N   UNL     1      -5.665   0.545  -0.295  1.00  0.00           N  
HETATM   21  N   UNL     1       0.219  -2.274   0.277  1.00  0.00           N  
HETATM   22  N   UNL     1       0.417  -5.299   0.771  1.00  0.00           N  
HETATM   23  N   UNL     1       2.743  -4.901   0.748  1.00  0.00           N  
HETATM   24  N   UNL     1       3.648  -2.799   0.423  1.00  0.00           N  
HETATM   25  N   UNL     1       1.974  -0.975   0.097  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.577  -1.359   0.043  1.00  0.00           O  
HETATM   27  O   UNL     1       2.190   1.359   0.585  1.00  0.00           O  
HETATM   28  O   UNL     1       4.515   2.406  -1.684  1.00  0.00           O  
HETATM   29  O   UNL     1       3.832  -0.030  -2.292  1.00  0.00           O  
HETATM   30  S   UNL     1      -0.468   0.336  -0.167  1.00  0.00           S  
HETATM   31  H   UNL     1      -7.062  -0.597   0.773  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.031  -0.891  -0.982  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.092   0.998  -1.227  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.124   1.291   0.528  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.171  -0.964   0.923  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.139  -1.258  -0.833  1.00  0.00           H  
HETATM   37  H   UNL     1       3.804   0.062   0.278  1.00  0.00           H  
HETATM   38  H   UNL     1       3.600   2.884   0.519  1.00  0.00           H  
HETATM   39  H   UNL     1       2.526   2.735  -2.191  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.015   1.658   0.379  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.983   1.365  -1.377  1.00  0.00           H  
HETATM   42  H   UNL     1       0.749   3.261  -0.511  1.00  0.00           H  
HETATM   43  H   UNL     1       2.029   4.492  -0.632  1.00  0.00           H  
HETATM   44  H   UNL     1       1.832   0.493  -2.037  1.00  0.00           H  
HETATM   45  H   UNL     1       4.774  -4.505   0.720  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.475  -0.276   0.566  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.141   0.876  -0.431  1.00  0.00           H  
HETATM   48  H   UNL     1       2.582   6.486   2.270  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.624   1.501  -0.454  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.486  -4.953   0.698  1.00  0.00           H  
HETATM   51  H   UNL     1       0.562  -6.246   0.927  1.00  0.00           H  
HETATM   52  H   UNL     1       4.778   3.330  -1.574  1.00  0.00           H  
HETATM   53  H   UNL     1       3.882   0.205  -3.229  1.00  0.00           H  
CONECT    1   20   13   31   32                                       
CONECT    2   26   26    3   20                                       
CONECT    3    4    2   33   34                                       
CONECT    4   30    3   35   36                                       
CONECT    5   21   21   30   25                                       
CONECT    6   21   16   16    9                                       
CONECT    7    8    8   14                                            
CONECT    8   19   19    7    7                                       
CONECT    9    6   25   24   24                                       
CONECT   10   27   25   15   37                                       
CONECT   11   27   14   12   38                                       
CONECT   12   11   15   28   39                                       
CONECT   13   18    1   40   41                                       
CONECT   14    7   11   42   43                                       
CONECT   15   10   12   29   44                                       
CONECT   16   22    6    6   23                                       
CONECT   17   23   23   24   45                                       
CONECT   18   13   46   47                                            
CONECT   19    8    8   48                                            
CONECT   20    2    1   49                                            
CONECT   21    6    5    5                                            
CONECT   22   16   50   51                                            
CONECT   23   16   17   17                                            
CONECT   24    9    9   17                                            
CONECT   25    5    9   10                                            
CONECT   26    2    2                                                 
CONECT   27   10   11                                                 
CONECT   28   12   52                                                 
CONECT   29   15   53                                                 
CONECT   30    5    4                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
