COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.193   2.220  -0.677  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.391   1.864  -1.561  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.263   2.523  -2.822  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.077   3.741  -0.562  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.976   4.089   0.405  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.001   4.880   0.030  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.944   1.898   0.364  1.00  0.00           N  
HETATM    8  CA  UNL     1      -7.180   2.332   1.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.960   3.675   1.668  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.963   4.272   2.330  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.580   1.310   2.085  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.919   0.000   1.422  1.00  0.00           C  
HETATM   13  OXT UNL     1      -5.881   4.213   1.591  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.931  -0.945   1.216  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.663   2.312  -0.887  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.433   3.044  -1.471  1.00  0.00           O  
HETATM   17  C   UNL     1      12.380  -2.695   3.278  1.00  0.00           C  
HETATM   18  N   UNL     1      12.834  -1.727   2.501  1.00  0.00           N  
HETATM   19  C   UNL     1      11.999  -1.039   1.744  1.00  0.00           C  
HETATM   20  C   UNL     1      10.636  -1.335   1.766  1.00  0.00           C  
HETATM   21  C   UNL     1       9.695  -0.567   0.919  1.00  0.00           C  
HETATM   22  O   UNL     1      10.110   0.324   0.204  1.00  0.00           O  
HETATM   23  N   UNL     1       8.379  -0.855   0.942  1.00  0.00           N  
HETATM   24  C   UNL     1       7.448  -0.095   0.104  1.00  0.00           C  
HETATM   25  C   UNL     1       6.070  -0.143   0.713  1.00  0.00           C  
HETATM   26  O   UNL     1       5.884  -0.753   1.745  1.00  0.00           O  
HETATM   27  C   UNL     1       7.407  -0.706  -1.298  1.00  0.00           C  
HETATM   28  C   UNL     1       8.775  -0.545  -1.964  1.00  0.00           C  
HETATM   29  N   UNL     1       5.044   0.490   0.111  1.00  0.00           N  
HETATM   30  C   UNL     1       3.705   0.443   0.703  1.00  0.00           C  
HETATM   31  C   UNL     1       2.672   0.654  -0.374  1.00  0.00           C  
HETATM   32  O   UNL     1       3.021   0.827  -1.523  1.00  0.00           O  
HETATM   33  C   UNL     1       3.574   1.544   1.757  1.00  0.00           C  
HETATM   34  C   UNL     1       4.623   1.330   2.850  1.00  0.00           C  
HETATM   35  C   UNL     1       3.794   2.908   1.100  1.00  0.00           C  
HETATM   36  N   UNL     1       1.361   0.651  -0.061  1.00  0.00           N  
HETATM   37  C   UNL     1       0.357   0.856  -1.108  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.902   1.411  -0.495  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.956   1.615   0.700  1.00  0.00           O  
HETATM   40  C   UNL     1       0.048  -0.480  -1.787  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.969   1.680  -1.273  1.00  0.00           N  
HETATM   42  C   UNL     1       8.773  -1.264  -3.314  1.00  0.00           C  
HETATM   43  C   UNL     1       9.066   0.942  -2.178  1.00  0.00           C  
HETATM   44  C   UNL     1       3.541   4.015   2.125  1.00  0.00           C  
HETATM   45  C   UNL     1       1.296  -0.983  -2.515  1.00  0.00           C  
HETATM   46  C   UNL     1       1.026  -2.376  -3.088  1.00  0.00           C  
HETATM   47  C   UNL     1       1.644  -0.022  -3.654  1.00  0.00           C  
HETATM   48  C   UNL     1       2.274  -2.878  -3.817  1.00  0.00           C  
HETATM   49  C   UNL     1       2.892  -0.525  -4.382  1.00  0.00           C  
HETATM   50  C   UNL     1       2.622  -1.917  -4.955  1.00  0.00           C  
HETATM   51  C   UNL     1      11.025  -2.992   3.302  1.00  0.00           C  
HETATM   52  N   UNL     1      10.184  -2.307   2.554  1.00  0.00           N  
HETATM   53  C   UNL     1      -9.219  -0.257   1.027  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.239  -2.147   0.609  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.542  -2.405   0.206  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.531  -1.455   0.414  1.00  0.00           C  
HETATM   57  O   UNL     1      -8.847  -3.587  -0.392  1.00  0.00           O  
HETATM   58  P   UNL     1      -9.256  -4.610   0.782  1.00  0.00           P  
HETATM   59  O   UNL     1     -10.603  -4.095   1.498  1.00  0.00           O  
HETATM   60  O   UNL     1      -9.506  -6.072   0.157  1.00  0.00           O  
HETATM   61  O   UNL     1      -8.164  -4.679   1.779  1.00  0.00           O  
HETATM   62  O   UNL     1      -4.431   0.450  -1.763  1.00  0.00           O  
HETATM   63  H   UNL     1      -3.334   1.790   0.315  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.240   3.472  -2.641  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.848   4.162  -1.541  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.021   4.151  -0.202  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.990   3.687   1.407  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.986   5.282  -0.972  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.211   5.130   0.724  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.328   1.312   0.831  1.00  0.00           H  
HETATM   71  HA  UNL     1      -7.975   2.413   0.277  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.750   1.164   2.777  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.448   1.676   2.632  1.00  0.00           H  
HETATM   74  HXT UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.918  -0.744   1.530  1.00  0.00           H  
HETATM   76  H   UNL     1      13.066  -3.256   3.896  1.00  0.00           H  
HETATM   77  H   UNL     1      12.370  -0.248   1.109  1.00  0.00           H  
HETATM   78  H   UNL     1       8.048  -1.566   1.513  1.00  0.00           H  
HETATM   79  H   UNL     1       7.780   0.941   0.040  1.00  0.00           H  
HETATM   80  H   UNL     1       7.161  -1.766  -1.225  1.00  0.00           H  
HETATM   81  H   UNL     1       6.650  -0.197  -1.894  1.00  0.00           H  
HETATM   82  H   UNL     1       9.545  -0.976  -1.323  1.00  0.00           H  
HETATM   83  H   UNL     1       5.193   0.978  -0.715  1.00  0.00           H  
HETATM   84  H   UNL     1       3.549  -0.529   1.171  1.00  0.00           H  
HETATM   85  H   UNL     1       2.578   1.509   2.197  1.00  0.00           H  
HETATM   86  H   UNL     1       4.530   2.115   3.602  1.00  0.00           H  
HETATM   87  H   UNL     1       4.466   0.359   3.319  1.00  0.00           H  
HETATM   88  H   UNL     1       5.619   1.365   2.410  1.00  0.00           H  
HETATM   89  H   UNL     1       3.105   3.024   0.263  1.00  0.00           H  
HETATM   90  H   UNL     1       4.819   2.976   0.738  1.00  0.00           H  
HETATM   91  H   UNL     1       1.083   0.513   0.858  1.00  0.00           H  
HETATM   92  H   UNL     1       0.742   1.558  -1.847  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.251  -1.210  -1.034  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.761  -0.345  -2.504  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.926   1.517  -2.228  1.00  0.00           H  
HETATM   96  H   UNL     1       8.004  -0.833  -3.954  1.00  0.00           H  
HETATM   97  H   UNL     1       9.748  -1.149  -3.788  1.00  0.00           H  
HETATM   98  H   UNL     1       8.566  -2.324  -3.161  1.00  0.00           H  
HETATM   99  H   UNL     1      10.040   1.057  -2.653  1.00  0.00           H  
HETATM  100  H   UNL     1       8.297   1.374  -2.819  1.00  0.00           H  
HETATM  101  H   UNL     1       9.067   1.454  -1.216  1.00  0.00           H  
HETATM  102  H   UNL     1       4.230   3.900   2.962  1.00  0.00           H  
HETATM  103  H   UNL     1       3.697   4.987   1.657  1.00  0.00           H  
HETATM  104  H   UNL     1       2.515   3.947   2.488  1.00  0.00           H  
HETATM  105  H   UNL     1       2.130  -1.034  -1.815  1.00  0.00           H  
HETATM  106  H   UNL     1       0.778  -3.061  -2.277  1.00  0.00           H  
HETATM  107  H   UNL     1       0.192  -2.325  -3.789  1.00  0.00           H  
HETATM  108  H   UNL     1       0.810   0.029  -4.354  1.00  0.00           H  
HETATM  109  H   UNL     1       1.837   0.970  -3.245  1.00  0.00           H  
HETATM  110  H   UNL     1       3.108  -2.929  -3.117  1.00  0.00           H  
HETATM  111  H   UNL     1       2.081  -3.871  -4.225  1.00  0.00           H  
HETATM  112  H   UNL     1       3.726  -0.575  -3.682  1.00  0.00           H  
HETATM  113  H   UNL     1       3.140   0.160  -5.193  1.00  0.00           H  
HETATM  114  H   UNL     1       3.511  -2.275  -5.474  1.00  0.00           H  
HETATM  115  H   UNL     1       1.788  -1.866  -5.656  1.00  0.00           H  
HETATM  116  H   UNL     1      10.659  -3.784   3.939  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.989   0.482   1.190  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.467  -2.885   0.447  1.00  0.00           H  
HETATM  119  H   UNL     1     -10.545  -1.654   0.101  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.748  -6.653   0.892  1.00  0.00           H  
HETATM  121  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.517   0.045  -0.889  1.00  0.00           H  
CONECT    1    2    4   41   63                                       
CONECT    2    1    3   15   62                                       
CONECT    3    2   64                                                 
CONECT    4    1    5   65   66                                       
CONECT    5    4    6    6   67                                       
CONECT    6    5    5   68   69                                       
CONECT    7    8   15   70                                            
CONECT    8    7    9   11   71                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   72   73                                       
CONECT   12   11   14   14   53                                       
CONECT   13    9   74                                                 
CONECT   14   12   12   54   75                                       
CONECT   15    2    7   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   51   51   76                                       
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   77                                       
CONECT   20   19   21   52   52                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   78                                            
CONECT   24   23   25   27   79                                       
CONECT   25   24   26   26   29                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   80   81                                       
CONECT   28   27   42   43   82                                       
CONECT   29   25   30   83                                            
CONECT   30   29   31   33   84                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31                                                 
CONECT   33   30   34   35   85                                       
CONECT   34   33   86   87   88                                       
CONECT   35   33   44   89   90                                       
CONECT   36   31   37   91                                            
CONECT   37   36   38   40   92                                       
CONECT   38   37   39   39   41                                       
CONECT   39   38   38                                                 
CONECT   40   37   45   93   94                                       
CONECT   41    1   38   95                                            
CONECT   42   28   96   97   98                                       
CONECT   43   28   99  100  101                                       
CONECT   44   35  102  103  104                                       
CONECT   45   40   46   47  105                                       
CONECT   46   45   48  106  107                                       
CONECT   47   45   49  108  109                                       
CONECT   48   46   50  110  111                                       
CONECT   49   47   50  112  113                                       
CONECT   50   48   49  114  115                                       
CONECT   51   17   17   52  116                                       
CONECT   52   20   20   51                                            
CONECT   53   12   56   56  117                                       
CONECT   54   14   55   55  118                                       
CONECT   55   54   54   56   57                                       
CONECT   56   53   53   55  119                                       
CONECT   57   55   58                                                 
CONECT   58   57   59   59   60                                       
CONECT   58   61                                                      
CONECT   59   58   58                                                 
CONECT   60   58  120                                                 
CONECT   61   58  121                                                 
CONECT   62    2  122                                                 
CONECT   63    1                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    6                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72   11                                                      
CONECT   73   11                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   17                                                      
CONECT   77   19                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   51                                                      
CONECT  117   53                                                      
CONECT  118   54                                                      
CONECT  119   56                                                      
CONECT  120   60                                                      
CONECT  121   61                                                      
CONECT  122   62                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
