COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.627  -0.757  -1.706  1.00  0.00           O  
HETATM    2  C   UNL     1       4.422  -1.342  -1.499  1.00  0.00           C  
HETATM    3  N   UNL     1       3.625  -0.915  -0.527  1.00  0.00           N  
HETATM    4  N   UNL     1       2.020  -2.490  -1.072  1.00  0.00           N  
HETATM    5  C   UNL     1       2.762  -2.961  -2.062  1.00  0.00           C  
HETATM    6  C   UNL     1       2.446  -1.484  -0.322  1.00  0.00           C  
HETATM    7  C   UNL     1       3.999  -2.395  -2.309  1.00  0.00           C  
HETATM    8  C   UNL     1       5.986   0.268  -0.892  1.00  0.00           C  
HETATM    9  C   UNL     1       6.679   0.009   0.285  1.00  0.00           C  
HETATM   10  C   UNL     1       7.045   1.046   1.114  1.00  0.00           C  
HETATM   11  C   UNL     1       6.719   2.361   0.770  1.00  0.00           C  
HETATM   12  C   UNL     1       6.022   2.617  -0.414  1.00  0.00           C  
HETATM   13  C   UNL     1       5.665   1.574  -1.240  1.00  0.00           C  
HETATM   14  C   UNL     1       4.919   1.850  -2.520  1.00  0.00           C  
HETATM   15  C   UNL     1       7.030  -1.409   0.654  1.00  0.00           C  
HETATM   16  C   UNL     1       7.097   3.443   1.629  1.00  0.00           C  
HETATM   17  N   UNL     1       1.639  -1.015   0.700  1.00  0.00           N  
HETATM   18  C   UNL     1       0.332  -1.631   0.943  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.073  -1.414   2.403  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.465  -2.005   2.635  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.430  -1.355   1.739  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.088  -1.590   0.330  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.714  -0.986   0.030  1.00  0.00           C  
HETATM   24  N   UNL     1       7.397   4.300   2.310  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.800  -1.799   2.029  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.778  -0.940   1.270  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.176  -1.306  -0.003  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.073  -0.518  -0.700  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.572   0.636  -0.124  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.174   1.001   1.148  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.281   0.211   1.847  1.00  0.00           C  
HETATM   32  S   UNL     1      -7.714   1.640  -1.013  1.00  0.00           S  
HETATM   33  O   UNL     1      -7.534   2.941  -0.469  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.429   1.371  -2.379  1.00  0.00           O  
HETATM   35  C   UNL     1      -9.343   0.981  -0.562  1.00  0.00           C  
HETATM   36  H   UNL     1       2.407  -3.782  -2.668  1.00  0.00           H  
HETATM   37  H   UNL     1       4.623  -2.761  -3.111  1.00  0.00           H  
HETATM   38  H   UNL     1       7.583   0.844   2.028  1.00  0.00           H  
HETATM   39  H   UNL     1       5.768   3.632  -0.683  1.00  0.00           H  
HETATM   40  H   UNL     1       3.847   1.831  -2.328  1.00  0.00           H  
HETATM   41  H   UNL     1       5.202   2.831  -2.902  1.00  0.00           H  
HETATM   42  H   UNL     1       5.170   1.087  -3.258  1.00  0.00           H  
HETATM   43  H   UNL     1       8.005  -1.662   0.239  1.00  0.00           H  
HETATM   44  H   UNL     1       7.062  -1.505   1.740  1.00  0.00           H  
HETATM   45  H   UNL     1       6.277  -2.087   0.252  1.00  0.00           H  
HETATM   46  H   UNL     1       1.939  -0.279   1.256  1.00  0.00           H  
HETATM   47  H   UNL     1       0.389  -2.699   0.735  1.00  0.00           H  
HETATM   48  H   UNL     1       0.646  -1.907   3.057  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.090  -0.346   2.621  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.443  -3.076   2.430  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.762  -1.840   3.670  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.063  -2.662   0.136  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.838  -1.122  -0.308  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.742   0.089   0.210  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.454  -1.174  -1.012  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.917  -2.839   1.725  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.992  -1.709   3.098  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.786  -2.207  -0.452  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.383  -0.803  -1.694  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.564   1.902   1.598  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.973   0.494   2.843  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.482   1.063   0.516  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.120   1.551  -1.072  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.406  -0.066  -0.858  1.00  0.00           H  
CONECT    1    2    8                                                 
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    6                                            
CONECT    4    5    6    6                                            
CONECT    5    4    7    7   36                                       
CONECT    6    3    4    4   17                                       
CONECT    7    2    5    5   37                                       
CONECT    8    1    9    9   13                                       
CONECT    9    8    8   10   15                                       
CONECT   10    9   11   11   38                                       
CONECT   11   10   10   12   16                                       
CONECT   12   11   13   13   39                                       
CONECT   13    8   12   12   14                                       
CONECT   14   13   40   41   42                                       
CONECT   15    9   43   44   45                                       
CONECT   16   11   24   24   24                                       
CONECT   17    6   18   46                                            
CONECT   18   17   19   23   47                                       
CONECT   19   18   20   48   49                                       
CONECT   20   19   21   50   51                                       
CONECT   21   20   22   25                                            
CONECT   22   21   23   52   53                                       
CONECT   23   18   22   54   55                                       
CONECT   24   16   16   16                                            
CONECT   25   21   26   56   57                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   58                                       
CONECT   28   27   29   29   59                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31   31   60                                       
CONECT   31   26   30   30   61                                       
CONECT   32   29   33   33   34                                       
CONECT   32   34   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   32   62   63   64                                       
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
