COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.571   3.838  -2.019  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.099   0.792   3.152  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.884  -2.054   2.486  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.431  -3.781  -1.723  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.000  -2.217   1.456  1.00  0.00           C  
HETATM    6  C   UNL     1       7.081  -1.491   3.161  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.106   0.497  -1.750  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.245   1.937  -0.171  1.00  0.00           C  
HETATM    9  O   UNL     1       0.400   2.303  -0.858  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.065  -3.640  -2.875  1.00  0.00           O  
HETATM   11  O   UNL     1       9.835  -0.997   2.379  1.00  0.00           O  
HETATM   12  O   UNL     1       9.463  -0.945  -0.395  1.00  0.00           O  
HETATM   13  O   UNL     1       8.290   1.304  -1.581  1.00  0.00           O  
HETATM   14  O   UNL     1      -6.144   2.220  -0.749  1.00  0.00           O  
HETATM   15  C   UNL     1       1.083  -2.152  -2.350  1.00  0.00           C  
HETATM   16  C   UNL     1       2.234  -1.296  -2.118  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.040  -2.070  -1.602  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.347   1.311   1.121  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.621   1.551   0.839  1.00  0.00           C  
HETATM   20  C   UNL     1       2.088  -0.040  -1.685  1.00  0.00           C  
HETATM   21  C   UNL     1       2.432   3.151  -1.264  1.00  0.00           C  
HETATM   22  C   UNL     1       4.437  -0.039  -0.889  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.867  -1.537  -0.789  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.478  -0.215   0.900  1.00  0.00           C  
HETATM   25  O   UNL     1       5.617   0.755  -0.752  1.00  0.00           O  
HETATM   26  O   UNL     1       1.990   1.496   0.472  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.172  -0.791   1.338  1.00  0.00           O  
HETATM   28  O   UNL     1       6.454  -0.353   1.123  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.370   0.230   0.264  1.00  0.00           O  
HETATM   30  C   UNL     1       0.699   1.739   0.176  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.123  -2.920  -1.898  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.708   1.107   1.785  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.462  -0.686   1.944  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.345  -2.954  -1.032  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.325  -1.027   0.551  1.00  0.00           C  
HETATM   36  C   UNL     1       7.504  -1.097   1.745  1.00  0.00           C  
HETATM   37  C   UNL     1       3.309   0.820  -1.465  1.00  0.00           C  
HETATM   38  C   UNL     1       8.768  -0.236   1.811  1.00  0.00           C  
HETATM   39  C   UNL     1       9.151   0.204   0.394  1.00  0.00           C  
HETATM   40  C   UNL     1       7.970   0.952  -0.233  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.613   0.959  -0.269  1.00  0.00           C  
HETATM   42  C   UNL     1       2.984   1.952  -0.489  1.00  0.00           C  
HETATM   43  C   UNL     1       6.737   0.045  -0.220  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.669   0.442   0.820  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.382  -0.147   1.224  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.017   1.125   0.320  1.00  0.00           C  
HETATM   47  N   UNL     1      -8.946   1.549  -0.737  1.00  0.00           N  
HETATM   48  H   UNL     1       4.323   4.181  -1.309  1.00  0.00           H  
HETATM   49  H   UNL     1       4.023   3.132  -2.716  1.00  0.00           H  
HETATM   50  H   UNL     1       3.177   4.692  -2.571  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.615   1.685   3.549  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.886   0.471   3.835  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.362  -0.004   3.047  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.161  -2.390   3.228  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.868  -1.974   2.948  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.925  -2.772   1.667  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.069  -4.797  -1.882  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.322  -3.808  -1.095  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.677  -3.329  -2.684  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.137  -2.751   1.058  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.774  -1.859   2.460  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.857  -2.889   1.494  1.00  0.00           H  
HETATM   63  H   UNL     1       6.180  -2.103   3.115  1.00  0.00           H  
HETATM   64  H   UNL     1       7.881  -2.058   3.636  1.00  0.00           H  
HETATM   65  H   UNL     1       6.879  -0.591   3.744  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.799   0.837  -2.520  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.139   0.278  -2.202  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.499  -0.404  -1.279  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.106   2.764   0.525  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.914   2.246  -0.975  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.680   1.087   0.357  1.00  0.00           H  
HETATM   72  H   UNL     1       9.659  -1.313   3.276  1.00  0.00           H  
HETATM   73  H   UNL     1       9.715  -0.740  -1.306  1.00  0.00           H  
HETATM   74  H   UNL     1       7.585   1.781  -2.040  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.258   2.189  -1.136  1.00  0.00           H  
HETATM   76  H   UNL     1       1.116  -2.876  -3.161  1.00  0.00           H  
HETATM   77  H   UNL     1       3.241  -1.648  -2.320  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.102  -1.370  -0.787  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.068   0.803   2.034  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.878   2.066  -0.079  1.00  0.00           H  
HETATM   81  H   UNL     1       1.102   0.365  -1.503  1.00  0.00           H  
HETATM   82  H   UNL     1       1.980   3.856  -0.567  1.00  0.00           H  
HETATM   83  H   UNL     1       1.679   2.808  -1.974  1.00  0.00           H  
HETATM   84  H   UNL     1       4.636  -0.874  -1.560  1.00  0.00           H  
HETATM   85  H   UNL     1       4.141  -0.420   0.088  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.530  -0.881  -1.592  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.957  -1.549  -0.761  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.548  -0.953   0.101  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.454  -0.092   1.370  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.447   1.902   1.890  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.422   0.032   2.763  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.097  -3.413  -0.075  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.421  -0.443   0.379  1.00  0.00           H  
HETATM   94  H   UNL     1       7.706  -1.996   1.163  1.00  0.00           H  
HETATM   95  H   UNL     1       3.628   1.245  -2.416  1.00  0.00           H  
HETATM   96  H   UNL     1       8.578   0.643   2.427  1.00  0.00           H  
HETATM   97  H   UNL     1      10.019   0.862   0.439  1.00  0.00           H  
HETATM   98  H   UNL     1       7.765   1.855   0.341  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.646   0.245  -1.093  1.00  0.00           H  
HETATM  100  H   UNL     1       3.891   2.248   0.039  1.00  0.00           H  
HETATM  101  H   UNL     1       6.929  -0.839  -0.828  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.606   1.175   1.624  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.853  -0.701   2.035  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.995   1.876   1.110  1.00  0.00           H  
CONECT    1   21   48   49   50                                       
CONECT    2   32   51   52   53                                       
CONECT    3   33   54   55   56                                       
CONECT    4   34   57   58   59                                       
CONECT    5   35   60   61   62                                       
CONECT    6   36   63   64   65                                       
CONECT    7   47   66   67   68                                       
CONECT    8   47   69   70   71                                       
CONECT    9   30   30                                                 
CONECT   10   31   31                                                 
CONECT   11   38   72                                                 
CONECT   12   39   73                                                 
CONECT   13   40   74                                                 
CONECT   14   41   75                                                 
CONECT   15   16   17   17   76                                       
CONECT   16   15   20   20   77                                       
CONECT   17   15   15   31   78                                       
CONECT   18   30   19   19   79                                       
CONECT   19   18   18   32   80                                       
CONECT   20   16   16   37   81                                       
CONECT   21    1   42   82   83                                       
CONECT   22   25   37   84   85                                       
CONECT   23   34   35   86   87                                       
CONECT   24   33   46   88   89                                       
CONECT   25   22   43                                                 
CONECT   26   42   30                                                 
CONECT   27   44   33                                                 
CONECT   28   36   43                                                 
CONECT   29   45   44                                                 
CONECT   30    9    9   18   26                                       
CONECT   31   10   10   17   34                                       
CONECT   32    2   19   45   90                                       
CONECT   33    3   24   27   91                                       
CONECT   34    4   23   31   92                                       
CONECT   35    5   23   45   93                                       
CONECT   36    6   28   38   94                                       
CONECT   37   20   22   42   95                                       
CONECT   38   11   36   39   96                                       
CONECT   39   12   38   40   97                                       
CONECT   40   13   39   43   98                                       
CONECT   41   14   44   46   99                                       
CONECT   42   21   26   37  100                                       
CONECT   43   25   28   40  101                                       
CONECT   44   27   29   41  102                                       
CONECT   45   29   32   35  103                                       
CONECT   46   24   41   47  104                                       
CONECT   47    7    8   46                                            
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
