COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.877  -1.141  -0.007  1.00  0.00           N  
HETATM    2  C   UNL     1       1.678  -2.515  -0.006  1.00  0.00           C  
HETATM    3  C   UNL     1       2.939  -3.135  -0.218  1.00  0.00           C  
HETATM    4  O   UNL     1       2.194  -5.401  -1.140  1.00  0.00           O  
HETATM    5  O   UNL     1       4.611  -5.027  -0.622  1.00  0.00           O  
HETATM    6  C   UNL     1       3.875  -2.170  -0.322  1.00  0.00           C  
HETATM    7  C   UNL     1       3.881   0.289  -0.196  1.00  0.00           C  
HETATM    8  C   UNL     1       3.237  -0.909  -0.176  1.00  0.00           C  
HETATM    9  C   UNL     1       3.031   5.250   0.293  1.00  0.00           C  
HETATM   10  O   UNL     1       3.021  -5.448   1.067  1.00  0.00           O  
HETATM   11  O   UNL     1       5.936   3.284  -1.447  1.00  0.00           O  
HETATM   12  C   UNL     1       3.177   1.559  -0.044  1.00  0.00           C  
HETATM   13  C   UNL     1       3.805   2.792   0.045  1.00  0.00           C  
HETATM   14  C   UNL     1       2.811   3.764   0.168  1.00  0.00           C  
HETATM   15  C   UNL     1       1.586   3.116   0.153  1.00  0.00           C  
HETATM   16  C   UNL     1       0.297   3.796   0.236  1.00  0.00           C  
HETATM   17  C   UNL     1       5.347  -2.391  -0.554  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.204   3.307   0.250  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.678   3.105  -0.819  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.420   3.072  -1.937  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.188   2.890  -0.897  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.586   2.977   0.507  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.096   2.762   0.429  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.162   3.732   0.353  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.431   5.215   0.333  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.883   3.119   0.294  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.073   1.742   0.315  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.437   1.503   0.424  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.077   0.307   0.523  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.368  -0.970   0.506  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.023  -1.175   0.315  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.969  -2.205   0.684  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.434  -2.454   0.937  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.160  -2.629  -0.398  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.624  -2.878  -0.144  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.463  -3.063  -1.176  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.044  -2.912   0.988  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.972  -3.178   0.585  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.166  -4.667   0.714  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.772  -2.527   0.347  1.00  0.00           C  
HETATM   41  C   UNL     1       0.509  -3.196   0.159  1.00  0.00           C  
HETATM   42  S   UNL     1       3.230  -4.870  -0.325  1.00  0.00           S  
HETATM   43  N   UNL     1       1.821   1.766   0.044  1.00  0.00           N  
HETATM   44  S   UNL     1       5.543   3.080   0.009  1.00  0.00           S  
HETATM   45  O   UNL     1       6.158   1.868   0.425  1.00  0.00           O  
HETATM   46  O   UNL     1       5.757   4.324   0.661  1.00  0.00           O  
HETATM   47  H   UNL     1       1.189  -0.463   0.089  1.00  0.00           H  
HETATM   48  H   UNL     1       4.959   0.308  -0.331  1.00  0.00           H  
HETATM   49  H   UNL     1       3.047   5.700  -0.700  1.00  0.00           H  
HETATM   50  H   UNL     1       2.222   5.689   0.878  1.00  0.00           H  
HETATM   51  H   UNL     1       3.982   5.436   0.792  1.00  0.00           H  
HETATM   52  H   UNL     1       3.158  -6.404   1.120  1.00  0.00           H  
HETATM   53  H   UNL     1       6.879   3.451  -1.580  1.00  0.00           H  
HETATM   54  H   UNL     1       0.282   4.883   0.252  1.00  0.00           H  
HETATM   55  H   UNL     1       5.548  -2.405  -1.626  1.00  0.00           H  
HETATM   56  H   UNL     1       5.913  -1.585  -0.089  1.00  0.00           H  
HETATM   57  H   UNL     1       5.644  -3.344  -0.116  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.371   3.215  -1.836  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.985   1.906  -1.319  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.743   3.657  -1.531  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.790   3.961   0.929  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.031   2.211   1.141  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.437   5.597   1.354  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.651   5.718  -0.238  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.399   5.403  -0.131  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.377   1.067   0.264  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.160   0.309   0.618  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.359  -0.481   0.179  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.550  -3.357   1.536  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.859  -1.605   1.474  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.043  -1.726  -0.996  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.735  -3.478  -0.934  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.393  -3.219  -0.964  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.378  -5.092  -0.267  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.259  -5.117   1.118  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.001  -4.867   1.385  1.00  0.00           H  
HETATM   77  H   UNL     1       0.542  -4.283   0.150  1.00  0.00           H  
HETATM   78  H   UNL     1       1.142   1.074   0.031  1.00  0.00           H  
CONECT    1    2    8   47                                            
CONECT    2    1   41   41    3                                       
CONECT    3    2   42    6    6                                       
CONECT    4   42   42                                                 
CONECT    5   42   42                                                 
CONECT    6    3    3    8   17                                       
CONECT    7   12    8    8   48                                       
CONECT    8    1    6    7    7                                       
CONECT    9   14   49   50   51                                       
CONECT   10   42   52                                                 
CONECT   11   44   53                                                 
CONECT   12    7   43   13   13                                       
CONECT   13   12   12   14   44                                       
CONECT   14    9   13   15   15                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   26   26   54                                       
CONECT   17    6   55   56   57                                       
CONECT   18   19   19                                                 
CONECT   19   18   18   20   21                                       
CONECT   20   19   58                                                 
CONECT   21   19   22   59   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   63   64   65                                       
CONECT   26   16   16   24   27                                       
CONECT   27   26   28   66                                            
CONECT   28   23   27   29   29                                       
CONECT   29   28   28   30   67                                       
CONECT   30   29   32   32   31                                       
CONECT   31   30   40   68                                            
CONECT   32   30   30   33   38                                       
CONECT   33   32   34   69   70                                       
CONECT   34   33   35   71   72                                       
CONECT   35   34   37   37   36                                       
CONECT   36   35   73                                                 
CONECT   37   35   35                                                 
CONECT   38   32   39   40   40                                       
CONECT   39   38   74   75   76                                       
CONECT   40   31   38   38   41                                       
CONECT   41    2    2   40   77                                       
CONECT   42    3    4    4    5                                       
CONECT   42    5   10                                                 
CONECT   43   12   15   78                                            
CONECT   44   11   13   46   46                                       
CONECT   44   45   45                                                 
CONECT   45   44   44                                                 
CONECT   46   44   44                                                 
CONECT   47    1                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
