COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.370   4.099   0.310  1.00  0.00           C  
HETATM    2  C   UNL     1       1.218   3.457   0.835  1.00  0.00           C  
HETATM    3  C   UNL     1       2.369   4.187   0.888  1.00  0.00           C  
HETATM    4  C   UNL     1       3.595   3.546   1.120  1.00  0.00           C  
HETATM    5  C   UNL     1       4.748   4.276   1.173  1.00  0.00           C  
HETATM    6  C   UNL     1       5.977   3.632   1.381  1.00  0.00           C  
HETATM    7  C   UNL     1       6.385   2.648   0.530  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.051   5.308   0.449  1.00  0.00           O  
HETATM    9  O   UNL     1      11.900  -1.094  -1.437  1.00  0.00           O  
HETATM   10  O   UNL     1       9.987  -3.225  -1.681  1.00  0.00           O  
HETATM   11  O   UNL     1      10.997  -5.621  -1.368  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.749   1.044  -3.037  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.239   0.483  -1.212  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.718  -0.366  -0.049  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.146   0.220   1.267  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.541   1.270   1.771  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.428   1.934   1.008  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.507   3.454   1.096  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.014   4.101   0.603  1.00  0.00           C  
HETATM   20  C   UNL     1       7.617   2.003   0.739  1.00  0.00           C  
HETATM   21  C   UNL     1       8.022   1.022  -0.110  1.00  0.00           C  
HETATM   22  C   UNL     1       9.264   0.372   0.101  1.00  0.00           C  
HETATM   23  C   UNL     1       9.664  -0.593  -0.734  1.00  0.00           C  
HETATM   24  C   UNL     1      10.918  -1.374  -0.437  1.00  0.00           C  
HETATM   25  C   UNL     1      10.599  -2.871  -0.440  1.00  0.00           C  
HETATM   26  C   UNL     1      11.893  -3.668  -0.264  1.00  0.00           C  
HETATM   27  C   UNL     1      11.563  -5.156  -0.141  1.00  0.00           C  
HETATM   28  C   UNL     1      12.842  -5.940   0.160  1.00  0.00           C  
HETATM   29  C   UNL     1      10.135   0.768   1.266  1.00  0.00           C  
HETATM   30  C   UNL     1       6.847   4.029   2.546  1.00  0.00           C  
HETATM   31  C   UNL     1       3.641   2.051   1.309  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.628   4.182  -1.185  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.468   2.824  -1.867  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.734   2.501  -2.663  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.865   3.961   0.619  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.952   1.763   3.136  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.726   0.178  -1.426  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.297   1.133  -2.477  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.887  -1.265  -1.908  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.353  -1.604  -1.998  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.959  -2.166  -0.982  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.233  -2.337   0.328  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.057  -1.708   1.454  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.036  -3.827   0.611  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.185  -3.999   1.871  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.883  -5.483   2.084  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.930  -5.645   3.270  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.121  -1.297  -3.258  1.00  0.00           C  
HETATM   49  O   UNL     1      -3.052   0.678  -3.966  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.503   0.144  -2.409  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.154   3.379   0.550  1.00  0.00           O  
HETATM   52  O   UNL     1      -9.308  -4.447   0.808  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.100  -6.183   2.352  1.00  0.00           O  
HETATM   54  H   UNL     1      -2.227   5.122   0.696  1.00  0.00           H  
HETATM   55  H   UNL     1       1.250   2.386   0.971  1.00  0.00           H  
HETATM   56  H   UNL     1       2.337   5.257   0.752  1.00  0.00           H  
HETATM   57  H   UNL     1       4.713   5.349   1.055  1.00  0.00           H  
HETATM   58  H   UNL     1       5.761   2.364  -0.305  1.00  0.00           H  
HETATM   59  H   UNL     1      11.625  -1.326  -2.335  1.00  0.00           H  
HETATM   60  H   UNL     1      10.538  -3.049  -2.456  1.00  0.00           H  
HETATM   61  H   UNL     1      11.580  -5.520  -2.133  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.123   1.535  -0.971  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.115  -1.380  -0.142  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.629  -0.410  -0.095  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.966  -0.229   1.815  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.470   1.594   1.413  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.489   1.627  -0.038  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.385   3.748   2.152  1.00  0.00           H  
HETATM   69  H   UNL     1       8.240   2.287   1.573  1.00  0.00           H  
HETATM   70  H   UNL     1       7.399   0.738  -0.944  1.00  0.00           H  
HETATM   71  H   UNL     1       9.087  -0.813  -1.620  1.00  0.00           H  
HETATM   72  H   UNL     1      11.303  -1.086   0.541  1.00  0.00           H  
HETATM   73  H   UNL     1       9.918  -3.098   0.380  1.00  0.00           H  
HETATM   74  H   UNL     1      12.539  -3.509  -1.127  1.00  0.00           H  
HETATM   75  H   UNL     1      12.406  -3.334   0.639  1.00  0.00           H  
HETATM   76  H   UNL     1      10.847  -5.304   0.668  1.00  0.00           H  
HETATM   77  H   UNL     1      13.274  -5.586   1.096  1.00  0.00           H  
HETATM   78  H   UNL     1      12.606  -7.001   0.247  1.00  0.00           H  
HETATM   79  H   UNL     1      13.557  -5.792  -0.649  1.00  0.00           H  
HETATM   80  H   UNL     1       9.929   0.113   2.112  1.00  0.00           H  
HETATM   81  H   UNL     1      11.184   0.678   0.983  1.00  0.00           H  
HETATM   82  H   UNL     1       9.921   1.800   1.544  1.00  0.00           H  
HETATM   83  H   UNL     1       6.597   3.416   3.412  1.00  0.00           H  
HETATM   84  H   UNL     1       7.895   3.878   2.285  1.00  0.00           H  
HETATM   85  H   UNL     1       6.680   5.079   2.784  1.00  0.00           H  
HETATM   86  H   UNL     1       3.813   1.568   0.347  1.00  0.00           H  
HETATM   87  H   UNL     1       4.449   1.796   1.994  1.00  0.00           H  
HETATM   88  H   UNL     1       2.692   1.709   1.723  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.596   4.608  -1.420  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.875   4.864  -1.623  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.621   2.877  -2.562  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.267   2.046  -1.141  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.732   3.101  -3.580  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.616   2.759  -2.086  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.651   3.534   1.242  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.893   5.048   0.693  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.021   3.663  -0.418  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.747   1.127   3.527  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.095   1.728   3.808  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.313   2.789   3.059  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.263   0.310  -0.486  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.852   0.913  -3.447  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.377   1.006  -2.535  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.066   2.161  -2.197  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.428  -1.373  -2.890  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.401  -1.940  -1.203  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.979  -2.507  -1.082  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.261  -1.846   0.272  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.198  -0.646   1.252  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.029  -2.199   1.510  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.532  -1.832   2.401  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.531  -4.294  -0.235  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.250  -3.451   1.755  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.729  -3.611   2.732  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.418  -5.892   1.187  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.395  -5.236   4.168  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.715  -6.703   3.422  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.002  -5.111   3.066  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.069  -2.151  -3.933  1.00  0.00           H  
HETATM  120  H   UNL     1     -10.163  -1.095  -3.008  1.00  0.00           H  
HETATM  121  H   UNL     1      -8.688  -0.423  -3.743  1.00  0.00           H  
HETATM  122  H   UNL     1      -9.814  -4.081   1.546  1.00  0.00           H  
HETATM  123  H   UNL     1      -8.568  -5.871   3.138  1.00  0.00           H  
CONECT    1   18   51   32   54                                       
CONECT    2    3    3   19   55                                       
CONECT    3    4    2    2   56                                       
CONECT    4   31    3    5    5                                       
CONECT    5    4    4    6   57                                       
CONECT    6   30    5    7    7                                       
CONECT    7    6    6   20   58                                       
CONECT    8   19   19                                                 
CONECT    9   24   59                                                 
CONECT   10   25   60                                                 
CONECT   11   27   61                                                 
CONECT   12   50   49   49   34                                       
CONECT   13   37   14   50   62                                       
CONECT   14   15   13   63   64                                       
CONECT   15   16   16   14   65                                       
CONECT   16   36   15   15   17                                       
CONECT   17   16   18   66   67                                       
CONECT   18   17   35    1   68                                       
CONECT   19    8    8    2   51                                       
CONECT   20    7   21   21   69                                       
CONECT   21   20   20   22   70                                       
CONECT   22   29   21   23   23                                       
CONECT   23   22   22   24   71                                       
CONECT   24    9   23   25   72                                       
CONECT   25   24   26   10   73                                       
CONECT   26   25   27   74   75                                       
CONECT   27   28   26   11   76                                       
CONECT   28   27   77   78   79                                       
CONECT   29   22   80   81   82                                       
CONECT   30    6   83   84   85                                       
CONECT   31    4   86   87   88                                       
CONECT   32    1   33   89   90                                       
CONECT   33   32   34   91   92                                       
CONECT   34   12   33   93   94                                       
CONECT   35   18   95   96   97                                       
CONECT   36   16   98   99  100                                       
CONECT   37   38   39   13  101                                       
CONECT   38   37  102  103  104                                       
CONECT   39   37   40  105  106                                       
CONECT   40   48   39   41   41                                       
CONECT   41   40   40   42  107                                       
CONECT   42   41   43   44  108                                       
CONECT   43   42  109  110  111                                       
CONECT   44   42   45   52  112                                       
CONECT   45   44   46  113  114                                       
CONECT   46   45   47   53  115                                       
CONECT   47   46  116  117  118                                       
CONECT   48   40  119  120  121                                       
CONECT   49   12   12                                                 
CONECT   50   13   12                                                 
CONECT   51   19    1                                                 
CONECT   52   44  122                                                 
CONECT   53   46  123                                                 
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
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   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   46                                                      
CONECT  116   47                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   48                                                      
CONECT  122   52                                                      
CONECT  123   53                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
