COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.260  -1.530   1.497  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.103  -4.386   1.020  1.00  0.00           C  
HETATM    3  C   UNL     1       0.405  -1.492  -4.259  1.00  0.00           C  
HETATM    4  C   UNL     1       0.962  -2.517  -3.305  1.00  0.00           C  
HETATM    5  C   UNL     1       0.609  -2.122  -1.869  1.00  0.00           C  
HETATM    6  C   UNL     1       4.831  -4.060  -0.591  1.00  0.00           C  
HETATM    7  C   UNL     1       3.362  -4.306  -0.820  1.00  0.00           C  
HETATM    8  C   UNL     1       3.161  -1.894  -1.482  1.00  0.00           C  
HETATM    9  C   UNL     1       4.584  -1.540   1.992  1.00  0.00           C  
HETATM   10  C   UNL     1       7.044   0.668   0.055  1.00  0.00           C  
HETATM   11  C   UNL     1       5.782   0.320   0.802  1.00  0.00           C  
HETATM   12  C   UNL     1       2.456   2.249   1.189  1.00  0.00           C  
HETATM   13  C   UNL     1       1.449   1.601   0.241  1.00  0.00           C  
HETATM   14  C   UNL     1       2.799  -0.154   1.056  1.00  0.00           C  
HETATM   15  C   UNL     1       3.247  -1.374   1.276  1.00  0.00           C  
HETATM   16  C   UNL     1       2.583  -3.000  -0.599  1.00  0.00           C  
HETATM   17  C   UNL     1       1.076  -3.220  -0.909  1.00  0.00           C  
HETATM   18  C   UNL     1       2.553  -2.633   0.884  1.00  0.00           C  
HETATM   19  C   UNL     1       3.503   1.131   1.420  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.133  -2.895  -0.087  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.469  -3.078   0.626  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.951  -1.855   0.824  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.013  -0.874   0.295  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.204   0.630   0.353  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.074   1.233  -0.481  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.069   2.757  -0.487  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.558   3.111  -0.365  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.001   1.967   0.473  1.00  0.00           C  
HETATM   29  C   UNL     1       1.865   1.871  -1.214  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.877  -4.940  -0.149  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.249  -3.562  -1.464  1.00  0.00           C  
HETATM   32  C   UNL     1       3.137   3.447   0.518  1.00  0.00           C  
HETATM   33  C   UNL     1       1.873   2.657   2.537  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.271   5.426  -3.066  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.165   4.656  -3.058  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.551   4.463  -4.089  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.702   4.049  -1.802  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.610   3.288  -1.794  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.841   3.362   0.684  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.422   4.452   0.368  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.962   5.558  -0.502  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.082   6.801  -0.011  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.288   5.325  -1.642  1.00  0.00           O  
HETATM   44  N   UNL     1      -0.787   0.743   0.086  1.00  0.00           N  
HETATM   45  N   UNL     1      -1.978  -1.448  -0.227  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.014  -1.240   2.979  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.323  -0.916   3.652  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.348  -0.916   3.012  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.350  -0.626   4.963  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.910  -4.335  -1.194  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.530  -6.107  -0.029  1.00  0.00           O  
HETATM   52  C   UNL     1      -1.040  -3.528   0.744  1.00  0.00           C  
HETATM   53  C   UNL     1       0.374  -3.155   0.415  1.00  0.00           C  
HETATM   54  N   UNL     1       1.168  -2.724   1.327  1.00  0.00           N  
HETATM   55  O   UNL     1       0.593  -1.634  -5.581  1.00  0.00           O  
HETATM   56  O   UNL     1      -0.212  -0.544  -3.835  1.00  0.00           O  
HETATM   57  O   UNL     1       5.714  -5.055  -0.769  1.00  0.00           O  
HETATM   58  O   UNL     1       5.214  -2.967  -0.246  1.00  0.00           O  
HETATM   59  N   UNL     1       1.586   0.145   0.466  1.00  0.00           N  
HETATM   60  C   UNL     1       2.976   3.173   3.426  1.00  0.00           C  
HETATM   61  O   UNL     1       2.695   3.591   4.670  1.00  0.00           O  
HETATM   62  O   UNL     1       4.112   3.210   3.018  1.00  0.00           O  
HETATM   63  C   UNL     1       4.717   1.383   0.527  1.00  0.00           C  
HETATM   64  O   UNL     1       7.087   1.664  -0.628  1.00  0.00           O  
HETATM   65  O   UNL     1       8.120  -0.129   0.147  1.00  0.00           O  
HETATM   66  H   UNL     1      -5.705  -0.654   1.025  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.938  -2.378   1.401  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.326  -5.094   1.309  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.779  -4.225   1.859  1.00  0.00           H  
HETATM   70  H   UNL     1       0.534  -3.494  -3.529  1.00  0.00           H  
HETATM   71  H   UNL     1       2.046  -2.562  -3.413  1.00  0.00           H  
HETATM   72  H   UNL     1       1.105  -1.185  -1.618  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.470  -1.998  -1.782  1.00  0.00           H  
HETATM   74  H   UNL     1       3.207  -4.654  -1.841  1.00  0.00           H  
HETATM   75  H   UNL     1       3.007  -5.063  -0.120  1.00  0.00           H  
HETATM   76  H   UNL     1       4.172  -1.656  -1.150  1.00  0.00           H  
HETATM   77  H   UNL     1       3.188  -2.233  -2.517  1.00  0.00           H  
HETATM   78  H   UNL     1       2.536  -1.005  -1.406  1.00  0.00           H  
HETATM   79  H   UNL     1       4.942  -0.566   2.324  1.00  0.00           H  
HETATM   80  H   UNL     1       4.456  -2.194   2.854  1.00  0.00           H  
HETATM   81  H   UNL     1       5.310  -1.979   1.308  1.00  0.00           H  
HETATM   82  H   UNL     1       5.419  -0.652   0.470  1.00  0.00           H  
HETATM   83  H   UNL     1       5.991   0.284   1.871  1.00  0.00           H  
HETATM   84  H   UNL     1       0.934  -4.201  -1.368  1.00  0.00           H  
HETATM   85  H   UNL     1       3.079  -3.456   1.440  1.00  0.00           H  
HETATM   86  H   UNL     1       3.793   1.125   2.469  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.174   0.896  -0.064  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.137   0.943   1.396  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.158   0.847  -1.505  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.146   3.189  -1.364  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.239   2.143   1.522  1.00  0.00           H  
HETATM   92  H   UNL     1       2.854   1.451  -1.393  1.00  0.00           H  
HETATM   93  H   UNL     1       1.145   1.408  -1.890  1.00  0.00           H  
HETATM   94  H   UNL     1       1.890   2.946  -1.392  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.587  -4.592  -1.342  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.967  -3.014  -2.074  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.276  -3.555  -1.954  1.00  0.00           H  
HETATM   98  H   UNL     1       3.933   3.819   1.163  1.00  0.00           H  
HETATM   99  H   UNL     1       3.558   3.137  -0.438  1.00  0.00           H  
HETATM  100  H   UNL     1       2.404   4.236   0.353  1.00  0.00           H  
HETATM  101  H   UNL     1       1.129   3.439   2.390  1.00  0.00           H  
HETATM  102  H   UNL     1       1.404   1.792   3.006  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.537   5.804  -3.916  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.248   4.220  -0.886  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.110   3.051  -2.721  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.410   3.014   1.623  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.779   4.449   0.637  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.886   3.056   0.628  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.986   4.416   1.300  1.00  0.00           H  
HETATM  110  H   UNL     1       0.629   4.642   0.586  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.433   7.477  -0.607  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.091   0.390   1.048  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.570  -2.116   3.452  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.336  -0.392   3.076  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.213  -0.425   5.350  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.013  -6.422  -0.805  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.220  -3.285   1.807  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.130  -4.625   0.670  1.00  0.00           H  
HETATM  119  H   UNL     1       0.217  -0.951  -6.153  1.00  0.00           H  
HETATM  120  H   UNL     1       6.645  -4.849  -0.610  1.00  0.00           H  
HETATM  121  H   UNL     1       0.905  -0.498   0.244  1.00  0.00           H  
HETATM  122  H   UNL     1       3.435   3.914   5.202  1.00  0.00           H  
HETATM  123  H   UNL     1       5.126   2.371   0.740  1.00  0.00           H  
HETATM  124  H   UNL     1       4.415   1.333  -0.519  1.00  0.00           H  
HETATM  125  H   UNL     1       8.906   0.135  -0.350  1.00  0.00           H  
CONECT    1   46   22   66   67                                       
CONECT    2   30   21   68   69                                       
CONECT    3   56   56    4   55                                       
CONECT    4    3    5   70   71                                       
CONECT    5    4   17   72   73                                       
CONECT    6    7   58   58   57                                       
CONECT    7   16    6   74   75                                       
CONECT    8   16   76   77   78                                       
CONECT    9   15   79   80   81                                       
CONECT   10   64   64   11   65                                       
CONECT   11   63   10   82   83                                       
CONECT   12   13   19   32   33                                       
CONECT   13   29   59   28   12                                       
CONECT   14   59   15   15   19                                       
CONECT   15   18   14   14    9                                       
CONECT   16   17    8   18    7                                       
CONECT   17    5   53   16   84                                       
CONECT   18   54   16   15   85                                       
CONECT   19   14   63   12   86                                       
CONECT   20   21   31   52   45                                       
CONECT   21    2   22   22   20                                       
CONECT   22    1   21   21   23                                       
CONECT   23   22   45   45   24                                       
CONECT   24   23   25   87   88                                       
CONECT   25   24   26   44   89                                       
CONECT   26   38   25   39   27                                       
CONECT   27   26   28   40   90                                       
CONECT   28   44   27   13   91                                       
CONECT   29   13   92   93   94                                       
CONECT   30   50   50   51    2                                       
CONECT   31   20   95   96   97                                       
CONECT   32   12   98   99  100                                       
CONECT   33   12   60  101  102                                       
CONECT   34   35  103                                                 
CONECT   35   36   36   34   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   38  104                                       
CONECT   38   37   37   26  105                                       
CONECT   39   26  106  107  108                                       
CONECT   40   27   41  109  110                                       
CONECT   41   43   43   40   42                                       
CONECT   42   41  111                                                 
CONECT   43   41   41                                                 
CONECT   44   25   28  112                                            
CONECT   45   20   23   23                                            
CONECT   46   47    1  113  114                                       
CONECT   47   48   48   49   46                                       
CONECT   48   47   47                                                 
CONECT   49   47  115                                                 
CONECT   50   30   30                                                 
CONECT   51   30  116                                                 
CONECT   52   20   53  117  118                                       
CONECT   53   52   17   54   54                                       
CONECT   54   53   53   18                                            
CONECT   55    3  119                                                 
CONECT   56    3    3                                                 
CONECT   57    6  120                                                 
CONECT   58    6    6                                                 
CONECT   59   13   14  121                                            
CONECT   60   33   62   62   61                                       
CONECT   61   60  122                                                 
CONECT   62   60   60                                                 
CONECT   63   19   11  123  124                                       
CONECT   64   10   10                                                 
CONECT   65   10  125                                                 
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    2                                                      
CONECT   69    2                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    7                                                      
CONECT   75    7                                                      
CONECT   76    8                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   11                                                      
CONECT   83   11                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   31                                                      
CONECT   96   31                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   39                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   42                                                      
CONECT  112   44                                                      
CONECT  113   46                                                      
CONECT  114   46                                                      
CONECT  115   49                                                      
CONECT  116   51                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
CONECT  119   55                                                      
CONECT  120   57                                                      
CONECT  121   59                                                      
CONECT  122   61                                                      
CONECT  123   63                                                      
CONECT  124   63                                                      
CONECT  125   65                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
