COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.750  -0.998  -0.357  1.00  0.00           N  
HETATM    2  C   UNL     1      14.836  -0.669   3.019  1.00  0.00           C  
HETATM    3  C   UNL     1      14.484   0.121   1.757  1.00  0.00           C  
HETATM    4  C   UNL     1      16.334  -1.245   0.729  1.00  0.00           C  
HETATM    5  C   UNL     1      15.265  -0.455   0.586  1.00  0.00           C  
HETATM    6  C   UNL     1      14.938  -0.212  -0.808  1.00  0.00           C  
HETATM    7  N   UNL     1      15.690  -0.765  -3.058  1.00  0.00           N  
HETATM    8  C   UNL     1      13.007   0.006   1.484  1.00  0.00           C  
HETATM    9  C   UNL     1       9.925   0.540  -0.231  1.00  0.00           C  
HETATM   10  C   UNL     1       7.681   0.425  -0.744  1.00  0.00           C  
HETATM   11  C   UNL     1       9.035   1.645  -2.154  1.00  0.00           C  
HETATM   12  C   UNL     1       4.917   0.129   1.468  1.00  0.00           C  
HETATM   13  C   UNL     1      13.837   0.602  -1.228  1.00  0.00           C  
HETATM   14  C   UNL     1      14.860   1.591   1.951  1.00  0.00           C  
HETATM   15  C   UNL     1      11.066   0.177   0.649  1.00  0.00           C  
HETATM   16  C   UNL     1      16.910  -1.672   2.065  1.00  0.00           C  
HETATM   17  C   UNL     1      10.127   1.337  -1.360  1.00  0.00           C  
HETATM   18  C   UNL     1       6.305  -0.331   0.977  1.00  0.00           C  
HETATM   19  C   UNL     1       6.031  -1.166  -1.317  1.00  0.00           C  
HETATM   20  C   UNL     1      16.359  -0.749   3.155  1.00  0.00           C  
HETATM   21  C   UNL     1       3.868  -0.824   1.109  1.00  0.00           C  
HETATM   22  C   UNL     1       4.769  -1.902  -0.831  1.00  0.00           C  
HETATM   23  C   UNL     1       7.190  -2.163  -1.380  1.00  0.00           C  
HETATM   24  C   UNL     1       2.410  -1.477  -0.724  1.00  0.00           C  
HETATM   25  C   UNL     1       1.376  -0.397  -0.400  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.019  -0.895  -0.781  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.053   0.185  -0.458  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.448  -0.314  -0.840  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.467   0.751  -0.521  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.762   1.566  -0.465  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.108   0.924  -0.245  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.852   2.552  -1.632  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.982   3.549  -1.371  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.527   3.305  -1.766  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.136   1.786  -2.925  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.221   0.803   1.100  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.804   1.677   2.230  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.068   3.029   2.039  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.666   2.558   1.578  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.151   0.811  -0.086  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.309   0.342  -1.115  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.640  -0.240  -0.713  1.00  0.00           C  
HETATM   43  C   UNL     1     -14.634   0.587  -0.220  1.00  0.00           C  
HETATM   44  C   UNL     1     -15.854   0.060   0.149  1.00  0.00           C  
HETATM   45  C   UNL     1     -16.085  -1.310   0.025  1.00  0.00           C  
HETATM   46  C   UNL     1     -15.080  -2.139  -0.473  1.00  0.00           C  
HETATM   47  C   UNL     1     -13.865  -1.599  -0.844  1.00  0.00           C  
HETATM   48  C   UNL     1     -17.391  -1.881   0.420  1.00  0.00           C  
HETATM   49  C   UNL     1     -19.515  -2.605   1.434  1.00  0.00           C  
HETATM   50  C   UNL     1     -18.138  -2.737  -0.310  1.00  0.00           C  
HETATM   51  C   UNL     1     -17.719  -3.236  -1.668  1.00  0.00           C  
HETATM   52  C   UNL     1      15.785  -0.838  -1.680  1.00  0.00           C  
HETATM   53  N   UNL     1      12.965   1.248  -1.561  1.00  0.00           N  
HETATM   54  N   UNL     1      11.010  -0.564   1.724  1.00  0.00           N  
HETATM   55  N   UNL     1      12.355   0.549   0.486  1.00  0.00           N  
HETATM   56  N   UNL     1       8.698   0.108   0.041  1.00  0.00           N  
HETATM   57  N   UNL     1       7.842   1.180  -1.821  1.00  0.00           N  
HETATM   58  N   UNL     1       6.416  -0.042  -0.431  1.00  0.00           N  
HETATM   59  N   UNL     1      -4.772   0.531  -0.774  1.00  0.00           N  
HETATM   60  N   UNL     1      -7.925   1.386   0.722  1.00  0.00           N  
HETATM   61  N   UNL     1     -11.405   0.334   0.038  1.00  0.00           N  
HETATM   62  N   UNL     1     -19.263  -3.098   0.267  1.00  0.00           N  
HETATM   63  O   UNL     1      12.115  -0.673   2.213  1.00  0.00           O  
HETATM   64  O   UNL     1      -3.112   1.804  -0.037  1.00  0.00           O  
HETATM   65  O   UNL     1      -7.455  -0.008  -0.938  1.00  0.00           O  
HETATM   66  O   UNL     1      -8.988   3.747   3.272  1.00  0.00           O  
HETATM   67  O   UNL     1      -9.771   1.246  -1.152  1.00  0.00           O  
HETATM   68  S   UNL     1      16.975  -1.717  -0.837  1.00  0.00           S  
HETATM   69  S   UNL     1     -18.246  -1.572   1.929  1.00  0.00           S  
HETATM   70  H   UNL     1      14.418  -0.167   3.892  1.00  0.00           H  
HETATM   71  H   UNL     1      14.423  -1.675   2.946  1.00  0.00           H  
HETATM   72  H   UNL     1      14.983  -0.242  -3.469  1.00  0.00           H  
HETATM   73  H   UNL     1      16.329  -1.237  -3.614  1.00  0.00           H  
HETATM   74  H   UNL     1       9.156   2.259  -3.034  1.00  0.00           H  
HETATM   75  H   UNL     1       4.941   0.237   2.552  1.00  0.00           H  
HETATM   76  H   UNL     1       4.686   1.095   1.020  1.00  0.00           H  
HETATM   77  H   UNL     1      15.931   1.670   2.141  1.00  0.00           H  
HETATM   78  H   UNL     1      14.609   2.152   1.050  1.00  0.00           H  
HETATM   79  H   UNL     1      14.309   1.998   2.798  1.00  0.00           H  
HETATM   80  H   UNL     1      16.619  -2.701   2.277  1.00  0.00           H  
HETATM   81  H   UNL     1      17.997  -1.596   2.036  1.00  0.00           H  
HETATM   82  H   UNL     1      11.112   1.704  -1.608  1.00  0.00           H  
HETATM   83  H   UNL     1       7.082   0.205   1.523  1.00  0.00           H  
HETATM   84  H   UNL     1       6.415  -1.403   1.143  1.00  0.00           H  
HETATM   85  H   UNL     1       5.848  -0.777  -2.318  1.00  0.00           H  
HETATM   86  H   UNL     1      16.788   0.247   3.041  1.00  0.00           H  
HETATM   87  H   UNL     1      16.617  -1.148   4.136  1.00  0.00           H  
HETATM   88  H   UNL     1       2.916  -0.467   1.501  1.00  0.00           H  
HETATM   89  H   UNL     1       4.097  -1.789   1.562  1.00  0.00           H  
HETATM   90  H   UNL     1       5.045  -2.578  -0.022  1.00  0.00           H  
HETATM   91  H   UNL     1       4.364  -2.489  -1.655  1.00  0.00           H  
HETATM   92  H   UNL     1       6.966  -2.935  -2.117  1.00  0.00           H  
HETATM   93  H   UNL     1       8.103  -1.641  -1.667  1.00  0.00           H  
HETATM   94  H   UNL     1       7.327  -2.624  -0.402  1.00  0.00           H  
HETATM   95  H   UNL     1       2.382  -1.699  -1.790  1.00  0.00           H  
HETATM   96  H   UNL     1       2.180  -2.381  -0.159  1.00  0.00           H  
HETATM   97  H   UNL     1       1.403  -0.175   0.667  1.00  0.00           H  
HETATM   98  H   UNL     1       1.606   0.507  -0.965  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.047  -1.117  -1.848  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.249  -1.799  -0.217  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.026   0.407   0.609  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.823   1.089  -1.023  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.476  -0.535  -1.906  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.678  -1.217  -0.275  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.462   2.098   0.438  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.739   4.154  -0.497  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.103   4.197  -2.239  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.911   3.007  -1.190  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.722   2.595  -1.951  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.591   4.007  -2.597  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.325   3.851  -0.844  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.080   1.249  -2.830  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.200   2.488  -3.757  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.331   1.075  -3.111  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.082  -0.218   1.455  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.880   1.802   2.105  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.576   1.248   3.206  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.551   3.631   1.269  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.171   3.343   1.007  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.059   2.275   2.438  1.00  0.00           H  
HETATM  121  H   UNL     1     -11.879  -0.256  -1.918  1.00  0.00           H  
HETATM  122  H   UNL     1     -12.450   1.366  -1.459  1.00  0.00           H  
HETATM  123  H   UNL     1     -14.453   1.648  -0.125  1.00  0.00           H  
HETATM  124  H   UNL     1     -16.628   0.707   0.535  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.253  -3.201  -0.572  1.00  0.00           H  
HETATM  126  H   UNL     1     -13.088  -2.239  -1.234  1.00  0.00           H  
HETATM  127  H   UNL     1     -20.400  -2.818   2.015  1.00  0.00           H  
HETATM  128  H   UNL     1     -17.199  -4.188  -1.561  1.00  0.00           H  
HETATM  129  H   UNL     1     -18.601  -3.373  -2.294  1.00  0.00           H  
HETATM  130  H   UNL     1     -17.053  -2.509  -2.133  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.056  -0.311  -1.162  1.00  0.00           H  
HETATM  132  H   UNL     1     -11.710  -0.014   0.891  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.535   4.599   3.202  1.00  0.00           H  
CONECT    1   21   22   24                                            
CONECT    2   20    3   70   71                                       
CONECT    3    2    5   14    8                                       
CONECT    4   16    5    5   68                                       
CONECT    5    3    4    4    6                                       
CONECT    6    5   52   52   13                                       
CONECT    7   52   72   73                                            
CONECT    8    3   63   55   55                                       
CONECT    9   15   56   56   17                                       
CONECT   10   56   57   57   58                                       
CONECT   11   57   17   17   74                                       
CONECT   12   18   21   75   76                                       
CONECT   13    6   53   53   53                                       
CONECT   14    3   77   78   79                                       
CONECT   15   54   54   55    9                                       
CONECT   16   20    4   80   81                                       
CONECT   17    9   11   11   82                                       
CONECT   18   58   12   83   84                                       
CONECT   19   58   22   23   85                                       
CONECT   20   16    2   86   87                                       
CONECT   21    1   12   88   89                                       
CONECT   22    1   19   90   91                                       
CONECT   23   19   92   93   94                                       
CONECT   24    1   25   95   96                                       
CONECT   25   24   26   97   98                                       
CONECT   26   25   27   99  100                                       
CONECT   27   26   28  101  102                                       
CONECT   28   27   29  103  104                                       
CONECT   29   28   59   64   64                                       
CONECT   30   59   31   32  105                                       
CONECT   31   30   65   65   60                                       
CONECT   32   30   33   34   35                                       
CONECT   33   32  106  107  108                                       
CONECT   34   32  109  110  111                                       
CONECT   35   32  112  113  114                                       
CONECT   36   60   37   40  115                                       
CONECT   37   36   38  116  117                                       
CONECT   38   37   39   66  118                                       
CONECT   39   60   38  119  120                                       
CONECT   40   36   67   67   61                                       
CONECT   41   61   42  121  122                                       
CONECT   42   41   43   43   47                                       
CONECT   43   42   42   44  123                                       
CONECT   44   43   45   45  124                                       
CONECT   45   44   44   46   48                                       
CONECT   46   45   47   47  125                                       
CONECT   47   42   46   46  126                                       
CONECT   48   45   69   50   50                                       
CONECT   49   69   62   62  127                                       
CONECT   50   48   48   62   51                                       
CONECT   51   50  128  129  130                                       
CONECT   52    6    6   68    7                                       
CONECT   53   13   13   13                                            
CONECT   54   63   15   15                                            
CONECT   55    8    8   15                                            
CONECT   56    9    9   10                                            
CONECT   57   10   10   11                                            
CONECT   58   10   18   19                                            
CONECT   59   29   30  131                                            
CONECT   60   31   36   39                                            
CONECT   61   40   41  132                                            
CONECT   62   49   49   50                                            
CONECT   63    8   54                                                 
CONECT   64   29   29                                                 
CONECT   65   31   31                                                 
CONECT   66   38  133                                                 
CONECT   67   40   40                                                 
CONECT   68    4   52                                                 
CONECT   69   48   49                                                 
CONECT   70    2                                                      
CONECT   71    2                                                      
CONECT   72    7                                                      
CONECT   73    7                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   14                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   20                                                      
CONECT   88   21                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   22                                                      
CONECT   92   23                                                      
CONECT   93   23                                                      
CONECT   94   23                                                      
CONECT   95   24                                                      
CONECT   96   24                                                      
CONECT   97   25                                                      
CONECT   98   25                                                      
CONECT   99   26                                                      
CONECT  100   26                                                      
CONECT  101   27                                                      
CONECT  102   27                                                      
CONECT  103   28                                                      
CONECT  104   28                                                      
CONECT  105   30                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   33                                                      
CONECT  109   34                                                      
CONECT  110   34                                                      
CONECT  111   34                                                      
CONECT  112   35                                                      
CONECT  113   35                                                      
CONECT  114   35                                                      
CONECT  115   36                                                      
CONECT  116   37                                                      
CONECT  117   37                                                      
CONECT  118   38                                                      
CONECT  119   39                                                      
CONECT  120   39                                                      
CONECT  121   41                                                      
CONECT  122   41                                                      
CONECT  123   43                                                      
CONECT  124   44                                                      
CONECT  125   46                                                      
CONECT  126   47                                                      
CONECT  127   49                                                      
CONECT  128   51                                                      
CONECT  129   51                                                      
CONECT  130   51                                                      
CONECT  131   59                                                      
CONECT  132   61                                                      
CONECT  133   66                                                      
MASTER        0    0    0    0    0    0    0    0  133    0  133    0
END
