COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.644   1.627   0.477  1.00  0.00           C  
HETATM    2  C   UNL     1       5.584  -0.759   0.148  1.00  0.00           C  
HETATM    3  C   UNL     1      10.576  -0.577   0.294  1.00  0.00           C  
HETATM    4  C   UNL     1       6.860  -0.774  -0.697  1.00  0.00           C  
HETATM    5  C   UNL     1       0.600  -0.439  -0.015  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.626  -0.544  -0.924  1.00  0.00           C  
HETATM    7  C   UNL     1      13.050  -0.235   0.358  1.00  0.00           C  
HETATM    8  C   UNL     1      14.318  -0.125  -0.490  1.00  0.00           C  
HETATM    9  C   UNL     1      15.524   0.106   0.423  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.896  -0.529  -0.071  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.122  -0.634  -0.979  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.392  -0.619  -0.126  1.00  0.00           C  
HETATM   13  C   UNL     1       1.871  -0.580  -0.855  1.00  0.00           C  
HETATM   14  C   UNL     1      11.844  -0.467  -0.554  1.00  0.00           C  
HETATM   15  C   UNL     1       5.540  -2.011   1.027  1.00  0.00           C  
HETATM   16  C   UNL     1      16.772   0.341  -0.431  1.00  0.00           C  
HETATM   17  C   UNL     1      10.660  -1.824   1.177  1.00  0.00           C  
HETATM   18  C   UNL     1       0.600   0.921   0.686  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.620  -0.599  -1.039  1.00  0.00           C  
HETATM   20  C   UNL     1      17.952   0.695   0.477  1.00  0.00           C  
HETATM   21  C   UNL     1      15.736  -1.123   1.309  1.00  0.00           C  
HETATM   22  C   UNL     1     -15.542  -0.604   0.423  1.00  0.00           C  
HETATM   23  C   UNL     1     -15.951   0.781   0.929  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.054  -0.828   0.695  1.00  0.00           C  
HETATM   25  C   UNL     1     -15.133   1.851   0.204  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.431  -1.870   0.753  1.00  0.00           C  
HETATM   27  C   UNL     1     -13.236   0.243  -0.030  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.884  -0.457  -0.190  1.00  0.00           C  
HETATM   29  C   UNL     1      19.200   0.930  -0.376  1.00  0.00           C  
HETATM   30  C   UNL     1      20.379   1.284   0.532  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.112  -0.437  -1.102  1.00  0.00           C  
HETATM   32  C   UNL     1     -15.542   3.236   0.711  1.00  0.00           C  
HETATM   33  C   UNL     1      21.627   1.518  -0.321  1.00  0.00           C  
HETATM   34  C   UNL     1      22.807   1.873   0.587  1.00  0.00           C  
HETATM   35  C   UNL     1      24.055   2.107  -0.267  1.00  0.00           C  
HETATM   36  C   UNL     1       4.363  -0.740  -0.774  1.00  0.00           C  
HETATM   37  C   UNL     1       9.356  -0.683  -0.623  1.00  0.00           C  
HETATM   38  C   UNL     1       8.080  -0.668   0.221  1.00  0.00           C  
HETATM   39  C   UNL     1       3.092  -0.599   0.066  1.00  0.00           C  
HETATM   40  O   UNL     1     -11.845   0.034   0.225  1.00  0.00           O  
HETATM   41  O   UNL     1     -16.307  -1.603   1.100  1.00  0.00           O  
HETATM   42  O   UNL     1     -17.342   0.990   0.674  1.00  0.00           O  
HETATM   43  O   UNL     1     -13.809  -0.743   2.101  1.00  0.00           O  
HETATM   44  O   UNL     1      -9.293  -0.305  -0.309  1.00  0.00           O  
HETATM   45  O   UNL     1     -14.863   4.240  -0.047  1.00  0.00           O  
HETATM   46  O   UNL     1     -11.108  -1.656  -1.649  1.00  0.00           O  
HETATM   47  O   UNL     1     -10.839   0.836  -1.946  1.00  0.00           O  
HETATM   48  P   UNL     1     -10.773  -0.249  -0.942  1.00  0.00           P  
HETATM   49  H   UNL     1     -13.061   2.390  -0.040  1.00  0.00           H  
HETATM   50  H   UNL     1     -13.458   1.692   1.549  1.00  0.00           H  
HETATM   51  H   UNL     1       5.577   0.129   0.779  1.00  0.00           H  
HETATM   52  H   UNL     1      10.481   0.308   0.923  1.00  0.00           H  
HETATM   53  H   UNL     1       6.911  -1.705  -1.262  1.00  0.00           H  
HETATM   54  H   UNL     1       6.850   0.070  -1.386  1.00  0.00           H  
HETATM   55  H   UNL     1       0.569  -1.232   0.732  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.641   0.300  -1.613  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.580  -1.475  -1.490  1.00  0.00           H  
HETATM   58  H   UNL     1      13.148  -1.072   1.050  1.00  0.00           H  
HETATM   59  H   UNL     1      12.908   0.687   0.921  1.00  0.00           H  
HETATM   60  H   UNL     1      14.460  -1.047  -1.053  1.00  0.00           H  
HETATM   61  H   UNL     1      14.221   0.712  -1.182  1.00  0.00           H  
HETATM   62  H   UNL     1      15.343   0.980   1.049  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.881  -1.373   0.619  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.942   0.402   0.495  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.137   0.210  -1.669  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.076  -1.565  -1.545  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.394   0.269   0.506  1.00  0.00           H  
HETATM   68  H   UNL     1       1.830  -1.509  -1.424  1.00  0.00           H  
HETATM   69  H   UNL     1       1.948   0.263  -1.542  1.00  0.00           H  
HETATM   70  H   UNL     1      11.986  -1.389  -1.117  1.00  0.00           H  
HETATM   71  H   UNL     1      11.747   0.370  -1.246  1.00  0.00           H  
HETATM   72  H   UNL     1       5.547  -2.899   0.395  1.00  0.00           H  
HETATM   73  H   UNL     1       6.410  -2.025   1.684  1.00  0.00           H  
HETATM   74  H   UNL     1       4.631  -2.000   1.628  1.00  0.00           H  
HETATM   75  H   UNL     1      17.005  -0.564  -0.991  1.00  0.00           H  
HETATM   76  H   UNL     1      16.589   1.161  -1.125  1.00  0.00           H  
HETATM   77  H   UNL     1      11.529  -1.748   1.831  1.00  0.00           H  
HETATM   78  H   UNL     1       9.757  -1.902   1.782  1.00  0.00           H  
HETATM   79  H   UNL     1      10.755  -2.709   0.548  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.305   1.021   1.284  1.00  0.00           H  
HETATM   81  H   UNL     1       1.474   0.996   1.333  1.00  0.00           H  
HETATM   82  H   UNL     1       0.632   1.715  -0.061  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.548   0.244  -1.726  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.665  -1.528  -1.607  1.00  0.00           H  
HETATM   85  H   UNL     1      17.720   1.601   1.038  1.00  0.00           H  
HETATM   86  H   UNL     1      18.135  -0.125   1.171  1.00  0.00           H  
HETATM   87  H   UNL     1      15.917  -1.996   0.682  1.00  0.00           H  
HETATM   88  H   UNL     1      16.595  -0.958   1.959  1.00  0.00           H  
HETATM   89  H   UNL     1      14.847  -1.290   1.917  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.729  -0.668  -0.649  1.00  0.00           H  
HETATM   91  H   UNL     1     -15.765   0.845   2.001  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.763  -1.814   0.334  1.00  0.00           H  
HETATM   93  H   UNL     1     -15.320   1.787  -0.868  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.429  -2.758   0.122  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.556  -1.885   1.404  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.335  -1.859   1.361  1.00  0.00           H  
HETATM   97  H   UNL     1     -13.422   0.178  -1.102  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.957  -1.300   0.498  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.839   0.472   0.379  1.00  0.00           H  
HETATM  100  H   UNL     1      19.432   0.024  -0.937  1.00  0.00           H  
HETATM  101  H   UNL     1      19.017   1.750  -1.070  1.00  0.00           H  
HETATM  102  H   UNL     1      20.147   2.189   1.093  1.00  0.00           H  
HETATM  103  H   UNL     1      20.563   0.464   1.226  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.040   0.406  -1.790  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.158  -1.366  -1.671  1.00  0.00           H  
HETATM  106  H   UNL     1     -16.619   3.361   0.598  1.00  0.00           H  
HETATM  107  H   UNL     1     -15.274   3.332   1.763  1.00  0.00           H  
HETATM  108  H   UNL     1      21.860   0.613  -0.882  1.00  0.00           H  
HETATM  109  H   UNL     1      21.444   2.339  -1.015  1.00  0.00           H  
HETATM  110  H   UNL     1      22.575   2.778   1.147  1.00  0.00           H  
HETATM  111  H   UNL     1      22.990   1.053   1.281  1.00  0.00           H  
HETATM  112  H   UNL     1      23.872   2.928  -0.961  1.00  0.00           H  
HETATM  113  H   UNL     1      24.895   2.360   0.380  1.00  0.00           H  
HETATM  114  H   UNL     1      24.287   1.202  -0.827  1.00  0.00           H  
HETATM  115  H   UNL     1       4.440   0.103  -1.461  1.00  0.00           H  
HETATM  116  H   UNL     1       4.322  -1.669  -1.342  1.00  0.00           H  
HETATM  117  H   UNL     1       9.346   0.161  -1.313  1.00  0.00           H  
HETATM  118  H   UNL     1       9.407  -1.614  -1.189  1.00  0.00           H  
HETATM  119  H   UNL     1       8.030   0.262   0.786  1.00  0.00           H  
HETATM  120  H   UNL     1       8.091  -1.512   0.910  1.00  0.00           H  
HETATM  121  H   UNL     1       3.134   0.330   0.635  1.00  0.00           H  
HETATM  122  H   UNL     1       3.016  -1.442   0.753  1.00  0.00           H  
HETATM  123  H   UNL     1     -16.100  -2.508   0.828  1.00  0.00           H  
HETATM  124  H   UNL     1     -17.921   0.347   1.104  1.00  0.00           H  
HETATM  125  H   UNL     1     -14.296  -1.394   2.625  1.00  0.00           H  
HETATM  126  H   UNL     1     -15.075   5.145   0.221  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.082  -2.414  -1.049  1.00  0.00           H  
CONECT    1   27   25   49   50                                       
CONECT    2   15   36    4   51                                       
CONECT    3   14   17   37   52                                       
CONECT    4    2   38   53   54                                       
CONECT    5   18   13    6   55                                       
CONECT    6    5   10   56   57                                       
CONECT    7    8   14   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9   16   21    8   62                                       
CONECT   10    6   11   63   64                                       
CONECT   11   10   12   65   66                                       
CONECT   12   26   11   19   67                                       
CONECT   13   39    5   68   69                                       
CONECT   14    7    3   70   71                                       
CONECT   15    2   72   73   74                                       
CONECT   16   20    9   75   76                                       
CONECT   17    3   77   78   79                                       
CONECT   18    5   80   81   82                                       
CONECT   19   12   28   83   84                                       
CONECT   20   29   16   85   86                                       
CONECT   21    9   87   88   89                                       
CONECT   22   24   41   23   90                                       
CONECT   23   22   25   42   91                                       
CONECT   24   43   27   22   92                                       
CONECT   25    1   23   32   93                                       
CONECT   26   12   94   95   96                                       
CONECT   27   40   24    1   97                                       
CONECT   28   19   31   98   99                                       
CONECT   29   30   20  100  101                                       
CONECT   30   29   33  102  103                                       
CONECT   31   28   44  104  105                                       
CONECT   32   25   45  106  107                                       
CONECT   33   30   34  108  109                                       
CONECT   34   33   35  110  111                                       
CONECT   35   34  112  113  114                                       
CONECT   36    2   39  115  116                                       
CONECT   37    3   38  117  118                                       
CONECT   38    4   37  119  120                                       
CONECT   39   36   13  121  122                                       
CONECT   40   48   27                                                 
CONECT   41   22  123                                                 
CONECT   42   23  124                                                 
CONECT   43   24  125                                                 
CONECT   44   31   48                                                 
CONECT   45   32  126                                                 
CONECT   46   48  127                                                 
CONECT   47   48   48                                                 
CONECT   48   44   40   47   47                                       
CONECT   48   46                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   26                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   32                                                      
CONECT  108   33                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   34                                                      
CONECT  112   35                                                      
CONECT  113   35                                                      
CONECT  114   35                                                      
CONECT  115   36                                                      
CONECT  116   36                                                      
CONECT  117   37                                                      
CONECT  118   37                                                      
CONECT  119   38                                                      
CONECT  120   38                                                      
CONECT  121   39                                                      
CONECT  122   39                                                      
CONECT  123   41                                                      
CONECT  124   42                                                      
CONECT  125   43                                                      
CONECT  126   45                                                      
CONECT  127   46                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
