COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.992  -2.710   2.241  1.00  0.00           C  
HETATM    2  C   UNL     1       4.038   4.080  -1.451  1.00  0.00           C  
HETATM    3  C   UNL     1       5.668  -5.790  -0.139  1.00  0.00           C  
HETATM    4  C   UNL     1       3.569  -5.544  -1.498  1.00  0.00           C  
HETATM    5  C   UNL     1       8.210   4.439   0.752  1.00  0.00           C  
HETATM    6  C   UNL     1       6.709   3.229   2.363  1.00  0.00           C  
HETATM    7  N   UNL     1     -14.408   0.882   0.170  1.00  0.00           N  
HETATM    8  O   UNL     1      -5.189   1.662   1.577  1.00  0.00           O  
HETATM    9  O   UNL     1     -13.560  -1.299  -0.613  1.00  0.00           O  
HETATM   10  O   UNL     1     -13.499   0.696  -2.117  1.00  0.00           O  
HETATM   11  C   UNL     1       5.330  -2.993  -1.497  1.00  0.00           C  
HETATM   12  C   UNL     1       5.579   1.887  -1.830  1.00  0.00           C  
HETATM   13  C   UNL     1       4.609  -2.836  -0.288  1.00  0.00           C  
HETATM   14  C   UNL     1       6.338   2.339  -0.609  1.00  0.00           C  
HETATM   15  C   UNL     1       1.940  -7.001   3.079  1.00  0.00           C  
HETATM   16  C   UNL     1       4.267   7.566   1.382  1.00  0.00           C  
HETATM   17  C   UNL     1       2.427  -7.913   2.161  1.00  0.00           C  
HETATM   18  C   UNL     1       5.295   7.505   2.305  1.00  0.00           C  
HETATM   19  C   UNL     1       2.198  -5.654   2.927  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.835  -0.071   1.080  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.777   1.840  -0.361  1.00  0.00           C  
HETATM   22  C   UNL     1       4.097   6.553   0.462  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.117  -0.357   0.649  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.058   1.554  -0.792  1.00  0.00           C  
HETATM   25  C   UNL     1       3.175  -7.474   1.083  1.00  0.00           C  
HETATM   26  C   UNL     1       6.160   6.425   2.303  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.508   0.331   0.004  1.00  0.00           C  
HETATM   28  C   UNL     1       0.505  -0.276  -0.968  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.927   0.014  -0.474  1.00  0.00           C  
HETATM   30  C   UNL     1       1.921  -0.067  -0.427  1.00  0.00           C  
HETATM   31  C   UNL     1       7.908  -0.958  -3.031  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.939   0.725   0.426  1.00  0.00           C  
HETATM   33  C   UNL     1       2.939  -0.565  -1.454  1.00  0.00           C  
HETATM   34  C   UNL     1       6.851  -2.052  -3.241  1.00  0.00           C  
HETATM   35  C   UNL     1       7.240   0.411  -3.149  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.756   0.630   0.146  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.768   1.340   1.046  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.297   0.421  -0.031  1.00  0.00           N  
HETATM   39  N   UNL     1       4.294  -0.371  -0.932  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.358   0.942   0.616  1.00  0.00           C  
HETATM   41  C   UNL     1       5.829  -1.909  -2.132  1.00  0.00           C  
HETATM   42  C   UNL     1       6.053   0.515  -2.237  1.00  0.00           C  
HETATM   43  C   UNL     1       4.084  -3.912   0.327  1.00  0.00           C  
HETATM   44  C   UNL     1       5.398  -0.549  -1.770  1.00  0.00           C  
HETATM   45  C   UNL     1       6.035   3.486  -0.031  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.165   1.028   0.576  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.728   0.455  -0.288  1.00  0.00           C  
HETATM   48  C   UNL     1       2.956  -5.204   1.846  1.00  0.00           C  
HETATM   49  C   UNL     1       4.964   5.461   0.453  1.00  0.00           C  
HETATM   50  C   UNL     1       3.434  -6.130   0.927  1.00  0.00           C  
HETATM   51  C   UNL     1       5.996   5.413   1.381  1.00  0.00           C  
HETATM   52  N   UNL     1       4.991   4.335  -0.368  1.00  0.00           N  
HETATM   53  C   UNL     1       4.202  -5.354  -0.118  1.00  0.00           C  
HETATM   54  C   UNL     1       6.760   4.133   1.130  1.00  0.00           C  
HETATM   55  S   UNL     1     -13.361   0.089  -0.839  1.00  0.00           S  
HETATM   56  N   UNL     1       3.342  -3.915   1.486  1.00  0.00           N  
HETATM   57  H   UNL     1       2.402  -2.987   3.115  1.00  0.00           H  
HETATM   58  H   UNL     1       3.902  -2.205   2.563  1.00  0.00           H  
HETATM   59  H   UNL     1       2.409  -2.040   1.608  1.00  0.00           H  
HETATM   60  H   UNL     1       3.448   3.195  -1.215  1.00  0.00           H  
HETATM   61  H   UNL     1       3.376   4.939  -1.562  1.00  0.00           H  
HETATM   62  H   UNL     1       4.581   3.918  -2.383  1.00  0.00           H  
HETATM   63  H   UNL     1       5.730  -6.847  -0.398  1.00  0.00           H  
HETATM   64  H   UNL     1       6.211  -5.202  -0.879  1.00  0.00           H  
HETATM   65  H   UNL     1       6.109  -5.630   0.845  1.00  0.00           H  
HETATM   66  H   UNL     1       3.634  -6.593  -1.786  1.00  0.00           H  
HETATM   67  H   UNL     1       2.522  -5.241  -1.462  1.00  0.00           H  
HETATM   68  H   UNL     1       4.099  -4.933  -2.228  1.00  0.00           H  
HETATM   69  H   UNL     1       8.729   3.509   0.519  1.00  0.00           H  
HETATM   70  H   UNL     1       8.228   5.094  -0.120  1.00  0.00           H  
HETATM   71  H   UNL     1       8.707   4.933   1.587  1.00  0.00           H  
HETATM   72  H   UNL     1       7.207   3.724   3.197  1.00  0.00           H  
HETATM   73  H   UNL     1       5.670   3.031   2.626  1.00  0.00           H  
HETATM   74  H   UNL     1       7.214   2.288   2.145  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.365   0.807   0.032  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.064   1.421   0.899  1.00  0.00           H  
HETATM   77  H   UNL     1       5.480  -3.978  -1.912  1.00  0.00           H  
HETATM   78  H   UNL     1       4.513   1.850  -1.602  1.00  0.00           H  
HETATM   79  H   UNL     1       5.752   2.588  -2.646  1.00  0.00           H  
HETATM   80  H   UNL     1       4.480  -1.853   0.140  1.00  0.00           H  
HETATM   81  H   UNL     1       7.129   1.724  -0.207  1.00  0.00           H  
HETATM   82  H   UNL     1       1.352  -7.344   3.917  1.00  0.00           H  
HETATM   83  H   UNL     1       3.592   8.409   1.384  1.00  0.00           H  
HETATM   84  H   UNL     1       2.223  -8.967   2.284  1.00  0.00           H  
HETATM   85  H   UNL     1       5.423   8.299   3.026  1.00  0.00           H  
HETATM   86  H   UNL     1       1.812  -4.947   3.646  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.359  -0.703   1.815  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.253   2.699  -0.754  1.00  0.00           H  
HETATM   89  H   UNL     1       3.289   6.606  -0.254  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.640  -1.216   1.043  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.536   2.189  -1.523  1.00  0.00           H  
HETATM   92  H   UNL     1       3.557  -8.184   0.364  1.00  0.00           H  
HETATM   93  H   UNL     1       6.964   6.375   3.022  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.357  -0.090   0.997  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.371   1.412   0.043  1.00  0.00           H  
HETATM   96  H   UNL     1       0.311  -1.344  -1.075  1.00  0.00           H  
HETATM   97  H   UNL     1       0.413   0.208  -1.940  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.049   0.359  -1.501  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.093  -1.062  -0.430  1.00  0.00           H  
HETATM  100  H   UNL     1       2.084   0.994  -0.238  1.00  0.00           H  
HETATM  101  H   UNL     1       2.040  -0.623   0.503  1.00  0.00           H  
HETATM  102  H   UNL     1       8.350  -1.064  -2.040  1.00  0.00           H  
HETATM  103  H   UNL     1       8.685  -1.050  -3.789  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.816   0.380   1.453  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.773   1.801   0.382  1.00  0.00           H  
HETATM  106  H   UNL     1       2.772  -1.625  -1.647  1.00  0.00           H  
HETATM  107  H   UNL     1       2.823  -0.004  -2.382  1.00  0.00           H  
HETATM  108  H   UNL     1       6.369  -1.920  -4.209  1.00  0.00           H  
HETATM  109  H   UNL     1       7.319  -3.034  -3.189  1.00  0.00           H  
HETATM  110  H   UNL     1       7.961   1.185  -2.885  1.00  0.00           H  
HETATM  111  H   UNL     1       6.914   0.563  -4.178  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.922  -0.447   0.190  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.878   0.974  -0.881  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.645   0.996   2.073  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.602   2.416   1.002  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.433  -0.154  -0.800  1.00  0.00           H  
HETATM  117  H   UNL     1       4.425  -0.119  -0.004  1.00  0.00           H  
CONECT    1   56   57   58   59                                       
CONECT    2   52   60   61   62                                       
CONECT    3   53   63   64   65                                       
CONECT    4   53   66   67   68                                       
CONECT    5   54   69   70   71                                       
CONECT    6   54   72   73   74                                       
CONECT    7   55   75   76                                            
CONECT    8   40   40                                                 
CONECT    9   55   55                                                 
CONECT   10   55   55                                                 
CONECT   11   13   41   41   77                                       
CONECT   12   42   14   78   79                                       
CONECT   13   11   43   43   80                                       
CONECT   14   12   45   45   81                                       
CONECT   15   17   17   19   82                                       
CONECT   16   22   22   18   83                                       
CONECT   17   15   15   25   84                                       
CONECT   18   16   26   26   85                                       
CONECT   19   15   48   48   86                                       
CONECT   20   46   46   23   87                                       
CONECT   21   46   24   24   88                                       
CONECT   22   16   16   49   89                                       
CONECT   23   20   47   47   90                                       
CONECT   24   21   21   47   91                                       
CONECT   25   17   50   50   92                                       
CONECT   26   18   18   51   93                                       
CONECT   27   29   28   94   95                                       
CONECT   28   27   30   96   97                                       
CONECT   29   27   32   98   99                                       
CONECT   30   28   33  100  101                                       
CONECT   31   34   35  102  103                                       
CONECT   32   29   38  104  105                                       
CONECT   33   30   39  106  107                                       
CONECT   34   31   41  108  109                                       
CONECT   35   31   42  110  111                                       
CONECT   36   37   40  112  113                                       
CONECT   37   36   46  114  115                                       
CONECT   38   32   40  116                                            
CONECT   39   33   44  117                                            
CONECT   40    8    8   36   38                                       
CONECT   41   11   11   34   44                                       
CONECT   42   12   35   44   44                                       
CONECT   43   13   13   53   56                                       
CONECT   44   39   41   42   42                                       
CONECT   45   14   14   54   52                                       
CONECT   46   20   20   21   37                                       
CONECT   47   23   23   24   55                                       
CONECT   48   19   19   50   56                                       
CONECT   49   22   52   51   51                                       
CONECT   50   25   25   48   53                                       
CONECT   51   26   49   49   54                                       
CONECT   52    2   45   49                                            
CONECT   53    3    4   43   50                                       
CONECT   54    5    6   45   51                                       
CONECT   55    7    9    9   10                                       
CONECT   55   10   47                                                 
CONECT   56    1   43   48                                            
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   12                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   21                                                      
CONECT   89   22                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   32                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   34                                                      
CONECT  110   35                                                      
CONECT  111   35                                                      
CONECT  112   36                                                      
CONECT  113   36                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   39                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
