COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.266   3.125   2.620  1.00  0.00           C  
HETATM    2  C   UNL     1       1.472   2.920   1.118  1.00  0.00           C  
HETATM    3  C   UNL     1       2.171   0.589   1.241  1.00  0.00           C  
HETATM    4  C   UNL     1       2.886   3.356   0.733  1.00  0.00           C  
HETATM    5  C   UNL     1       2.034  -0.855   0.834  1.00  0.00           C  
HETATM    6  C   UNL     1       2.785  -1.740   1.831  1.00  0.00           C  
HETATM    7  C   UNL     1       2.645  -3.207   1.417  1.00  0.00           C  
HETATM    8  C   UNL     1       3.235  -3.400   0.019  1.00  0.00           C  
HETATM    9  C   UNL     1       2.484  -2.515  -0.978  1.00  0.00           C  
HETATM   10  C   UNL     1       2.624  -1.049  -0.564  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.306   0.034  -0.062  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.017   0.779   0.541  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.961   0.414  -0.375  1.00  0.00           C  
HETATM   14  S   UNL     1      -1.280   0.476  -1.994  1.00  0.00           S  
HETATM   15  C   UNL     1       0.274   1.001  -1.364  1.00  0.00           C  
HETATM   16  C   UNL     1       0.207   1.102   0.007  1.00  0.00           C  
HETATM   17  N   UNL     1       1.291   1.504   0.789  1.00  0.00           N  
HETATM   18  C   UNL     1       1.419   1.277  -2.146  1.00  0.00           C  
HETATM   19  O   UNL     1       2.451   1.636  -1.609  1.00  0.00           O  
HETATM   20  O   UNL     1       1.368   1.143  -3.488  1.00  0.00           O  
HETATM   21  O   UNL     1       3.074   0.928   1.977  1.00  0.00           O  
HETATM   22  C   UNL     1       3.095  -4.867  -0.395  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.409  -0.277   0.194  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.791  -0.666   0.516  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.496   0.492   1.224  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.539  -1.006  -0.775  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.776  -1.891   1.433  1.00  0.00           C  
HETATM   28  H   UNL     1       1.377   4.182   2.861  1.00  0.00           H  
HETATM   29  H   UNL     1       0.266   2.791   2.899  1.00  0.00           H  
HETATM   30  H   UNL     1       2.008   2.547   3.170  1.00  0.00           H  
HETATM   31  H   UNL     1       0.744   3.516   0.567  1.00  0.00           H  
HETATM   32  H   UNL     1       3.610   2.842   1.365  1.00  0.00           H  
HETATM   33  H   UNL     1       3.073   3.105  -0.312  1.00  0.00           H  
HETATM   34  H   UNL     1       2.984   4.433   0.870  1.00  0.00           H  
HETATM   35  H   UNL     1       0.980  -1.132   0.825  1.00  0.00           H  
HETATM   36  H   UNL     1       3.839  -1.464   1.840  1.00  0.00           H  
HETATM   37  H   UNL     1       2.365  -1.602   2.827  1.00  0.00           H  
HETATM   38  H   UNL     1       3.180  -3.837   2.128  1.00  0.00           H  
HETATM   39  H   UNL     1       1.591  -3.483   1.408  1.00  0.00           H  
HETATM   40  H   UNL     1       4.289  -3.124   0.028  1.00  0.00           H  
HETATM   41  H   UNL     1       2.905  -2.653  -1.974  1.00  0.00           H  
HETATM   42  H   UNL     1       1.430  -2.792  -0.987  1.00  0.00           H  
HETATM   43  H   UNL     1       2.089  -0.419  -1.275  1.00  0.00           H  
HETATM   44  H   UNL     1       3.678  -0.773  -0.556  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.217   0.817   1.601  1.00  0.00           H  
HETATM   46  H   UNL     1       2.199   1.354  -3.936  1.00  0.00           H  
HETATM   47  H   UNL     1       2.041  -5.143  -0.403  1.00  0.00           H  
HETATM   48  H   UNL     1       3.516  -5.005  -1.391  1.00  0.00           H  
HETATM   49  H   UNL     1       3.630  -5.497   0.316  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.520   0.204   1.462  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.964   0.734   2.144  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.507   1.365   0.571  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.550  -0.133  -1.429  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.036  -1.831  -1.280  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.562  -1.294  -0.537  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.273  -2.716   0.929  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.243  -1.649   2.353  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.799  -2.180   1.671  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2   17    1    4   31                                       
CONECT    3    5   17   21   21                                       
CONECT    4    2   32   33   34                                       
CONECT    5   10    6    3   35                                       
CONECT    6    7    5   36   37                                       
CONECT    7    8    6   38   39                                       
CONECT    8   22    9    7   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9    5   43   44                                       
CONECT   11   23   23   23   13                                       
CONECT   12   13   13   16   45                                       
CONECT   13   14   11   12   12                                       
CONECT   14   13   15                                                 
CONECT   15   14   18   16   16                                       
CONECT   16   15   15   12   17                                       
CONECT   17   16    3    2                                            
CONECT   18   19   19   15   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   46                                                 
CONECT   21    3    3                                                 
CONECT   22    8   47   48   49                                       
CONECT   23   24   11   11   11                                       
CONECT   24   27   26   25   23                                       
CONECT   25   24   50   51   52                                       
CONECT   26   24   53   54   55                                       
CONECT   27   24   56   57   58                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
