COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.284  -3.931   2.343  1.00  0.00           C  
HETATM    2  C   UNL     1       1.635  -0.949   4.305  1.00  0.00           C  
HETATM    3  C   UNL     1       1.630   0.427   4.215  1.00  0.00           C  
HETATM    4  C   UNL     1       2.305   1.967   0.595  1.00  0.00           C  
HETATM    5  C   UNL     1       4.078   1.120  -0.846  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.208   3.350   0.261  1.00  0.00           C  
HETATM    7  C   UNL     1       1.771   2.970   1.586  1.00  0.00           C  
HETATM    8  C   UNL     1       2.166   2.550   3.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.183   1.046   3.110  1.00  0.00           C  
HETATM   10  C   UNL     1       2.757   0.288   2.106  1.00  0.00           C  
HETATM   11  C   UNL     1       2.755  -1.089   2.184  1.00  0.00           C  
HETATM   12  C   UNL     1       2.191  -1.718   3.289  1.00  0.00           C  
HETATM   13  C   UNL     1       5.491   1.486  -1.219  1.00  0.00           C  
HETATM   14  C   UNL     1       6.552   0.984  -0.489  1.00  0.00           C  
HETATM   15  C   UNL     1       7.848   1.320  -0.831  1.00  0.00           C  
HETATM   16  C   UNL     1       8.084   2.158  -1.904  1.00  0.00           C  
HETATM   17  C   UNL     1       9.497   2.526  -2.277  1.00  0.00           C  
HETATM   18  C   UNL     1       7.024   2.660  -2.636  1.00  0.00           C  
HETATM   19  C   UNL     1       5.727   2.321  -2.296  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.701   3.477   0.086  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.037   3.653  -1.398  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.342   2.303  -2.003  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.202   1.442  -1.347  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.459   0.190  -1.872  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.854  -0.200  -3.061  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.773  -2.363  -2.801  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.716  -3.848  -3.053  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.958  -4.514  -1.901  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.743  -5.995  -2.206  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.605  -6.723  -1.450  1.00  0.00           C  
HETATM   31  C   UNL     1       0.170  -7.299  -0.268  1.00  0.00           C  
HETATM   32  C   UNL     1       1.123  -5.996   1.617  1.00  0.00           C  
HETATM   33  C   UNL     1       1.157  -4.471   1.522  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.334  -6.168   1.259  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.123  -5.613   0.075  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.027   0.685  -3.737  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.774   1.937  -3.206  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.909   3.235   0.937  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.985   4.614   0.997  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.032   5.276   0.384  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.004   4.559  -0.289  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.927   3.180  -0.349  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.881   2.518   0.265  1.00  0.00           C  
HETATM   44  N   UNL     1       0.296   3.024   1.487  1.00  0.00           N  
HETATM   45  N   UNL     1       2.154  -3.105   3.365  1.00  0.00           N  
HETATM   46  N   UNL     1       3.559   2.095   0.117  1.00  0.00           N  
HETATM   47  N   UNL     1      10.019   1.548  -3.242  1.00  0.00           N  
HETATM   48  N   UNL     1      -3.046  -1.501  -3.546  1.00  0.00           N  
HETATM   49  N   UNL     1      -2.047  -6.621  -1.039  1.00  0.00           N  
HETATM   50  N   UNL     1      -0.004  -6.563   0.942  1.00  0.00           N  
HETATM   51  N   UNL     1      -2.355   2.268   0.593  1.00  0.00           N  
HETATM   52  O   UNL     1       0.536   3.534  -0.679  1.00  0.00           O  
HETATM   53  O   UNL     1       3.407  -4.284   2.050  1.00  0.00           O  
HETATM   54  O   UNL     1       1.607   1.046   0.229  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.484  -1.934  -1.917  1.00  0.00           O  
HETATM   56  O   UNL     1      -3.088   3.256   2.733  1.00  0.00           O  
HETATM   57  O   UNL     1      -4.020   1.068   1.963  1.00  0.00           O  
HETATM   58  S   UNL     1      -3.570   2.392   1.712  1.00  0.00           S  
HETATM   59  H   UNL     1       1.205  -1.432   5.170  1.00  0.00           H  
HETATM   60  H   UNL     1       1.194   1.020   5.006  1.00  0.00           H  
HETATM   61  H   UNL     1       3.454   1.124  -1.739  1.00  0.00           H  
HETATM   62  H   UNL     1       4.067   0.126  -0.399  1.00  0.00           H  
HETATM   63  H   UNL     1       2.188   3.953   1.368  1.00  0.00           H  
HETATM   64  H   UNL     1       3.158   2.940   3.229  1.00  0.00           H  
HETATM   65  H   UNL     1       1.447   2.956   3.711  1.00  0.00           H  
HETATM   66  H   UNL     1       3.209   0.776   1.256  1.00  0.00           H  
HETATM   67  H   UNL     1       3.190  -1.678   1.390  1.00  0.00           H  
HETATM   68  H   UNL     1       6.367   0.328   0.350  1.00  0.00           H  
HETATM   69  H   UNL     1       8.677   0.927  -0.260  1.00  0.00           H  
HETATM   70  H   UNL     1       9.509   3.519  -2.725  1.00  0.00           H  
HETATM   71  H   UNL     1      10.121   2.522  -1.384  1.00  0.00           H  
HETATM   72  H   UNL     1       7.208   3.316  -3.474  1.00  0.00           H  
HETATM   73  H   UNL     1       4.899   2.710  -2.869  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.058   4.343   0.642  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.907   4.302  -1.500  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.187   4.099  -1.914  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.673   1.748  -0.425  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.129  -0.485  -1.359  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.727  -4.250  -3.105  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.198  -4.039  -3.993  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.991  -4.027  -1.773  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.536  -4.414  -0.982  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.707  -6.481  -2.363  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.129  -6.100  -3.100  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.220  -5.734  -1.699  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.511  -7.384  -2.312  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.159  -8.325  -0.102  1.00  0.00           H  
HETATM   88  H   UNL     1       1.230  -7.313  -0.519  1.00  0.00           H  
HETATM   89  H   UNL     1       2.036  -6.397   1.177  1.00  0.00           H  
HETATM   90  H   UNL     1       1.085  -6.283   2.668  1.00  0.00           H  
HETATM   91  H   UNL     1       0.214  -4.064   1.889  1.00  0.00           H  
HETATM   92  H   UNL     1       1.294  -4.176   0.481  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.293  -5.405   2.036  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.867  -7.033   1.655  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.162  -5.459   0.364  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.685  -4.669  -0.250  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.581   0.396  -4.678  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.133   2.628  -3.734  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.226   5.174   1.523  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.092   6.353   0.432  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.823   5.076  -0.767  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.687   2.620  -0.875  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.821   1.441   0.218  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.278   2.840   2.247  1.00  0.00           H  
HETATM  105  H   UNL     1       2.023  -3.500   4.241  1.00  0.00           H  
HETATM  106  H   UNL     1       4.117   2.831   0.410  1.00  0.00           H  
HETATM  107  H   UNL     1       9.420   1.485  -4.052  1.00  0.00           H  
HETATM  108  H   UNL     1      10.966   1.772  -3.508  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.665  -1.778  -4.394  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.077   1.396   0.273  1.00  0.00           H  
CONECT    1   53   53   33   45                                       
CONECT    2   12   12    3   59                                       
CONECT    3    9    9    2   60                                       
CONECT    4   54   54    7   46                                       
CONECT    5   46   13   61   62                                       
CONECT    6   44   20   52   52                                       
CONECT    7    8   44    4   63                                       
CONECT    8    9    7   64   65                                       
CONECT    9   10    8    3    3                                       
CONECT   10   11   11    9   66                                       
CONECT   11   10   10   12   67                                       
CONECT   12   11   45    2    2                                       
CONECT   13    5   14   14   19                                       
CONECT   14   13   13   15   68                                       
CONECT   15   14   16   16   69                                       
CONECT   16   15   15   18   17                                       
CONECT   17   16   47   70   71                                       
CONECT   18   19   19   16   72                                       
CONECT   19   13   18   18   73                                       
CONECT   20   21    6   51   74                                       
CONECT   21   20   22   75   76                                       
CONECT   22   21   23   23   37                                       
CONECT   23   22   22   24   77                                       
CONECT   24   23   25   25   78                                       
CONECT   25   24   24   36   48                                       
CONECT   26   48   55   55   27                                       
CONECT   27   26   28   79   80                                       
CONECT   28   29   27   81   82                                       
CONECT   29   49   28   83   84                                       
CONECT   30   31   49   85   86                                       
CONECT   31   50   30   87   88                                       
CONECT   32   33   50   89   90                                       
CONECT   33    1   32   91   92                                       
CONECT   34   50   35   93   94                                       
CONECT   35   34   49   95   96                                       
CONECT   36   37   37   25   97                                       
CONECT   37   22   36   36   98                                       
CONECT   38   39   58   43   43                                       
CONECT   39   40   40   38   99                                       
CONECT   40   39   39   41  100                                       
CONECT   41   40   42   42  101                                       
CONECT   42   41   41   43  102                                       
CONECT   43   38   38   42  103                                       
CONECT   44    7    6  104                                            
CONECT   45    1   12  105                                            
CONECT   46    4    5  106                                            
CONECT   47   17  107  108                                            
CONECT   48   25   26  109                                            
CONECT   49   35   30   29                                            
CONECT   50   32   34   31                                            
CONECT   51   20   58  110                                            
CONECT   52    6    6                                                 
CONECT   53    1    1                                                 
CONECT   54    4    4                                                 
CONECT   55   26   26                                                 
CONECT   56   58   58                                                 
CONECT   57   58   58                                                 
CONECT   58   57   57   51   38                                       
CONECT   58   56   56                                                 
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   51                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
