COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.948  -2.214  -0.358  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.755  -3.405  -0.212  1.00  0.00           O  
HETATM    3  N   UNL     1      -7.523  -0.384  -0.501  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.331  -1.679  -0.341  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.405  -2.562  -0.155  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.683  -2.083  -0.137  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.165  -0.138  -0.302  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.315   1.204  -0.472  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.208   2.031  -0.653  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.946   1.523  -0.665  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.878  -0.700  -0.309  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.748   0.140  -0.493  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.905  -1.379  -0.536  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.539  -1.907  -0.553  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.575  -0.820  -0.153  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.944   0.335  -0.119  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.199  -2.397  -1.963  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.107  -3.573  -2.327  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.412  -1.259  -2.963  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.303  -1.131   0.167  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.390  -0.087   0.638  1.00  0.00           C  
HETATM   22  C   UNL     1       1.053  -0.501   0.343  1.00  0.00           C  
HETATM   23  O   UNL     1       1.382  -1.663   1.106  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.568   0.103   2.146  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.952   0.628   2.426  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.994  -0.253   2.648  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.179   1.991   2.466  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.264   0.229   2.906  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.449   2.473   2.723  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.492   1.592   2.941  1.00  0.00           C  
HETATM   31  C   UNL     1       1.998   0.641   0.720  1.00  0.00           C  
HETATM   32  N   UNL     1       3.356   0.329   0.254  1.00  0.00           N  
HETATM   33  C   UNL     1       4.182   1.541   0.187  1.00  0.00           C  
HETATM   34  C   UNL     1       5.537   1.203  -0.439  1.00  0.00           C  
HETATM   35  C   UNL     1       6.233   0.134   0.410  1.00  0.00           C  
HETATM   36  C   UNL     1       5.330  -1.099   0.503  1.00  0.00           C  
HETATM   37  C   UNL     1       3.981  -0.694   1.101  1.00  0.00           C  
HETATM   38  C   UNL     1       3.485   2.578  -0.656  1.00  0.00           C  
HETATM   39  O   UNL     1       2.792   2.234  -1.590  1.00  0.00           O  
HETATM   40  N   UNL     1      12.204  -1.656   0.202  1.00  0.00           N  
HETATM   41  C   UNL     1      11.031  -1.244   0.642  1.00  0.00           C  
HETATM   42  C   UNL     1       9.877  -1.940   0.336  1.00  0.00           C  
HETATM   43  C   UNL     1       9.964  -3.083  -0.443  1.00  0.00           C  
HETATM   44  C   UNL     1      11.215  -3.486  -0.887  1.00  0.00           C  
HETATM   45  C   UNL     1      12.325  -2.739  -0.540  1.00  0.00           C  
HETATM   46  C   UNL     1       8.540  -1.462   0.842  1.00  0.00           C  
HETATM   47  S   UNL     1       7.807  -0.324  -0.365  1.00  0.00           S  
HETATM   48  N   UNL     1       3.630   3.887  -0.371  1.00  0.00           N  
HETATM   49  C   UNL     1       2.953   4.895  -1.190  1.00  0.00           C  
HETATM   50  C   UNL     1       1.441   4.669  -1.128  1.00  0.00           C  
HETATM   51  C   UNL     1       3.282   6.291  -0.657  1.00  0.00           C  
HETATM   52  C   UNL     1       3.428   4.777  -2.639  1.00  0.00           C  
HETATM   53  H   UNL     1      -8.221  -3.619  -0.026  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.522  -2.748   0.004  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.031  -0.768  -0.163  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.306   1.634  -0.467  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.354   3.093  -0.786  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.099   2.179  -0.807  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.059  -0.429  -0.653  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.462  -2.738   0.148  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.158  -2.718  -1.994  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.146  -3.242  -2.332  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.840  -3.946  -3.316  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.983  -4.369  -1.592  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.766  -0.421  -2.704  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.170  -1.607  -3.967  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.453  -0.938  -2.931  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.993  -2.047   0.085  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.612   0.848   0.125  1.00  0.00           H  
HETATM   70  H   UNL     1       1.158  -0.723  -0.719  1.00  0.00           H  
HETATM   71  H   UNL     1       1.310  -1.538   2.063  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.432  -0.853   2.651  1.00  0.00           H  
HETATM   73  H   UNL     1       0.172   0.815   2.511  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.815  -1.318   2.621  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.365   2.680   2.297  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.077  -0.460   3.079  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.627   3.538   2.755  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.484   1.968   3.141  1.00  0.00           H  
HETATM   79  H   UNL     1       1.657   1.565   0.253  1.00  0.00           H  
HETATM   80  H   UNL     1       2.006   0.764   1.804  1.00  0.00           H  
HETATM   81  H   UNL     1       4.334   1.933   1.193  1.00  0.00           H  
HETATM   82  H   UNL     1       5.387   0.824  -1.450  1.00  0.00           H  
HETATM   83  H   UNL     1       6.155   2.099  -0.474  1.00  0.00           H  
HETATM   84  H   UNL     1       6.418   0.527   1.409  1.00  0.00           H  
HETATM   85  H   UNL     1       5.177  -1.514  -0.493  1.00  0.00           H  
HETATM   86  H   UNL     1       5.801  -1.847   1.141  1.00  0.00           H  
HETATM   87  H   UNL     1       4.134  -0.292   2.103  1.00  0.00           H  
HETATM   88  H   UNL     1       3.331  -1.568   1.156  1.00  0.00           H  
HETATM   89  H   UNL     1      10.971  -0.352   1.248  1.00  0.00           H  
HETATM   90  H   UNL     1       9.079  -3.648  -0.698  1.00  0.00           H  
HETATM   91  H   UNL     1      11.320  -4.372  -1.495  1.00  0.00           H  
HETATM   92  H   UNL     1      13.302  -3.046  -0.882  1.00  0.00           H  
HETATM   93  H   UNL     1       7.879  -2.317   0.984  1.00  0.00           H  
HETATM   94  H   UNL     1       8.675  -0.946   1.793  1.00  0.00           H  
HETATM   95  H   UNL     1       4.184   4.162   0.377  1.00  0.00           H  
HETATM   96  H   UNL     1       1.102   4.753  -0.095  1.00  0.00           H  
HETATM   97  H   UNL     1       0.936   5.419  -1.738  1.00  0.00           H  
HETATM   98  H   UNL     1       1.206   3.675  -1.508  1.00  0.00           H  
HETATM   99  H   UNL     1       4.359   6.451  -0.700  1.00  0.00           H  
HETATM  100  H   UNL     1       2.778   7.041  -1.266  1.00  0.00           H  
HETATM  101  H   UNL     1       2.944   6.374   0.376  1.00  0.00           H  
HETATM  102  H   UNL     1       3.193   3.783  -3.019  1.00  0.00           H  
HETATM  103  H   UNL     1       2.923   5.527  -3.249  1.00  0.00           H  
HETATM  104  H   UNL     1       4.505   4.938  -2.683  1.00  0.00           H  
CONECT    1    4    2    2   13                                       
CONECT    2    1    1                                                 
CONECT    3    4    4   12                                            
CONECT    4    3    3    5    1                                       
CONECT    5    4    6    6   53                                       
CONECT    6    5    5   11   54                                       
CONECT    7    8    8   11   55                                       
CONECT    8    7    7    9   56                                       
CONECT    9    8   10   10   57                                       
CONECT   10    9    9   12   58                                       
CONECT   11    6    7   12   12                                       
CONECT   12    3   10   11   11                                       
CONECT   13   14   59    1                                            
CONECT   14   13   15   17   60                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   19   61                                       
CONECT   18   17   62   63   64                                       
CONECT   19   17   65   66   67                                       
CONECT   20   21   68   15                                            
CONECT   21   20   22   24   69                                       
CONECT   22   21   23   31   70                                       
CONECT   23   22   71                                                 
CONECT   24   21   25   72   73                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   28   74                                       
CONECT   27   25   29   29   75                                       
CONECT   28   26   30   30   76                                       
CONECT   29   27   27   30   77                                       
CONECT   30   28   28   29   78                                       
CONECT   31   22   79   80   32                                       
CONECT   32   33   37   31                                            
CONECT   33   32   34   38   81                                       
CONECT   34   33   35   82   83                                       
CONECT   35   34   36   84   47                                       
CONECT   36   35   37   85   86                                       
CONECT   37   32   36   87   88                                       
CONECT   38   33   39   39   48                                       
CONECT   39   38   38                                                 
CONECT   40   41   41   45                                            
CONECT   41   40   40   42   89                                       
CONECT   42   41   43   43   46                                       
CONECT   43   42   42   44   90                                       
CONECT   44   43   45   45   91                                       
CONECT   45   40   44   44   92                                       
CONECT   46   42   47   93   94                                       
CONECT   47   46   35                                                 
CONECT   48   38   49   95                                            
CONECT   49   48   50   51   52                                       
CONECT   50   49   96   97   98                                       
CONECT   51   49   99  100  101                                       
CONECT   52   49  102  103  104                                       
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   41                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   48                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
