COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.509   0.359  -0.083  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.912   0.468   0.176  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.170   1.828   0.828  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.037   2.149   1.805  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.229   3.560   2.363  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.052   1.139   2.954  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.086   0.096  -0.692  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.454  -0.394  -0.991  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.502  -1.122  -0.146  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.912  -2.432   0.379  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.948  -3.199   1.171  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.914  -4.758  -0.206  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.557  -3.375  -0.794  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.070   0.873  -1.587  1.00  0.00           C  
HETATM   15  C   UNL     1       3.889   0.213  -0.165  1.00  0.00           C  
HETATM   16  C   UNL     1       4.969  -0.414  -1.066  1.00  0.00           C  
HETATM   17  C   UNL     1       5.954   0.554  -0.412  1.00  0.00           C  
HETATM   18  C   UNL     1       7.185   1.065  -1.162  1.00  0.00           C  
HETATM   19  C   UNL     1       9.119  -0.557  -0.518  1.00  0.00           C  
HETATM   20  C   UNL     1       9.654  -1.434   0.584  1.00  0.00           C  
HETATM   21  C   UNL     1       6.906   0.093   0.693  1.00  0.00           C  
HETATM   22  C   UNL     1       4.772   1.474  -0.108  1.00  0.00           C  
HETATM   23  N   UNL     1       0.299   0.544  -0.646  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.312  -0.032  -0.147  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.931  -4.497   0.819  1.00  0.00           N  
HETATM   26  N   UNL     1       7.945   0.086  -0.357  1.00  0.00           N  
HETATM   27  O   UNL     1       1.596   0.129   1.107  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.687  -2.714   2.002  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.252   0.532  -2.314  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.928  -0.088  -1.880  1.00  0.00           O  
HETATM   31  O   UNL     1       2.621   0.422  -0.839  1.00  0.00           O  
HETATM   32  O   UNL     1       9.745  -0.429  -1.549  1.00  0.00           O  
HETATM   33  S   UNL     1      -5.494   2.025  -0.250  1.00  0.00           S  
HETATM   34  H   UNL     1      -0.778  -0.287   0.951  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.215   2.598   0.058  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.117   1.798   1.368  1.00  0.00           H  
HETATM   37  H   UNL     1       0.919   2.092   1.284  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.185   3.618   2.885  1.00  0.00           H  
HETATM   39  H   UNL     1       0.578   3.789   3.059  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.218   4.280   1.545  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.008   1.196   3.475  1.00  0.00           H  
HETATM   42  H   UNL     1       0.085   0.134   2.556  1.00  0.00           H  
HETATM   43  H   UNL     1       0.755   1.368   3.649  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.118  -1.048  -1.796  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.793  -0.492   0.694  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.377  -1.337  -0.759  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.031  -2.235   0.990  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.320  -5.405  -0.984  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.033  -5.216   0.243  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.167  -3.154  -1.670  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.495  -3.316  -1.034  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.353   1.345  -2.259  1.00  0.00           H  
HETATM   53  H   UNL     1       3.780  -0.288   0.797  1.00  0.00           H  
HETATM   54  H   UNL     1       5.172  -1.461  -0.843  1.00  0.00           H  
HETATM   55  H   UNL     1       4.813  -0.229  -2.129  1.00  0.00           H  
HETATM   56  H   UNL     1       7.173   0.843  -2.229  1.00  0.00           H  
HETATM   57  H   UNL     1       7.433   2.103  -0.946  1.00  0.00           H  
HETATM   58  H   UNL     1       8.825  -1.814   1.182  1.00  0.00           H  
HETATM   59  H   UNL     1       7.072   0.838   1.471  1.00  0.00           H  
HETATM   60  H   UNL     1       6.674  -0.895   1.090  1.00  0.00           H  
HETATM   61  H   UNL     1       4.561   2.192  -0.900  1.00  0.00           H  
HETATM   62  H   UNL     1       4.816   1.932   0.880  1.00  0.00           H  
HETATM   63  H   UNL     1       0.229   0.727  -1.596  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.439   0.116   0.803  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.516  -5.173   1.195  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.935   0.108  -1.778  1.00  0.00           H  
HETATM   67  O   UNL     1      -4.321   2.617   0.289  1.00  0.00           O  
HETATM   68  O   UNL     1      -6.206   3.174  -0.951  1.00  0.00           O  
HETATM   69  O   UNL     1      -6.487   1.462   0.596  1.00  0.00           O  
HETATM   70  H   UNL     1      -6.497   3.878  -0.355  1.00  0.00           H  
HETATM   71  C   UNL     1      10.422  -2.608  -0.026  1.00  0.00           C  
HETATM   72  C   UNL     1      10.593  -0.618   1.475  1.00  0.00           C  
HETATM   73  H   UNL     1      11.251  -2.229  -0.623  1.00  0.00           H  
HETATM   74  H   UNL     1      10.809  -3.243   0.771  1.00  0.00           H  
HETATM   75  H   UNL     1       9.753  -3.190  -0.660  1.00  0.00           H  
HETATM   76  H   UNL     1      10.043   0.211   1.920  1.00  0.00           H  
HETATM   77  H   UNL     1      10.990  -1.256   2.265  1.00  0.00           H  
HETATM   78  H   UNL     1      11.416  -0.229   0.875  1.00  0.00           H  
CONECT    1   27   27   31   23                                       
CONECT    2   23    7    3   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    5    3    6   37                                       
CONECT    5    4   38   39   40                                       
CONECT    6    4   41   42   43                                       
CONECT    7   24    2   30   30                                       
CONECT    8    9   24   14   44                                       
CONECT    9   10    8   45   46                                       
CONECT   10   11    9   13   47                                       
CONECT   11   28   28   25   10                                       
CONECT   12   25   13   48   49                                       
CONECT   13   10   12   50   51                                       
CONECT   14   33    8   29   52                                       
CONECT   15   22   16   31   53                                       
CONECT   16   17   15   54   55                                       
CONECT   17   21   18   22   16                                       
CONECT   18   26   17   56   57                                       
CONECT   19   32   32   26   20                                       
CONECT   20   19   58   71   72                                       
CONECT   21   26   17   59   60                                       
CONECT   22   17   15   61   62                                       
CONECT   23    1    2   63                                            
CONECT   24    8    7   64                                            
CONECT   25   11   12   65                                            
CONECT   26   19   21   18                                            
CONECT   27    1    1                                                 
CONECT   28   11   11                                                 
CONECT   29   14   66                                                 
CONECT   30    7    7                                                 
CONECT   31   15    1                                                 
CONECT   32   19   19                                                 
CONECT   33   14   67   67   68                                       
CONECT   33   69   69                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   29                                                      
CONECT   67   33   33                                                 
CONECT   68   33   70                                                 
CONECT   69   33   33                                                 
CONECT   70   68                                                      
CONECT   71   20   73   74   75                                       
CONECT   72   20   76   77   78                                       
CONECT   73   71                                                      
CONECT   74   71                                                      
CONECT   75   71                                                      
CONECT   76   72                                                      
CONECT   77   72                                                      
CONECT   78   72                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
