COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.812   1.871   2.920  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.377   0.416   2.619  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.691   0.505   1.242  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.403  -0.412   0.245  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.464   0.642  -1.907  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.983   0.781  -3.649  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.602  -0.160  -4.685  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.668   1.370  -4.194  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.600   0.937  -3.160  1.00  0.00           C  
HETATM   10  CA  UNL     1      -7.289  -1.863   0.716  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.883  -2.777  -0.325  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.728  -3.298   1.885  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.266  -3.618   2.064  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.660  -4.558   1.252  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.319  -4.852   1.416  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.585  -4.206   2.393  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.123  -4.526   2.573  1.00  0.00           C  
HETATM   18  C   UNL     1       2.022  -3.742   1.724  1.00  0.00           C  
HETATM   19  C   UNL     1       2.847  -2.828   0.855  1.00  0.00           C  
HETATM   20  C   UNL     1       2.457  -3.029  -0.611  1.00  0.00           C  
HETATM   21  C   UNL     1       3.203  -2.016  -1.481  1.00  0.00           C  
HETATM   22  C   UNL     1       2.813  -2.217  -2.946  1.00  0.00           C  
HETATM   23  C   UNL     1       3.336  -1.236  -5.141  1.00  0.00           C  
HETATM   24  C   UNL     1       5.199  -2.196   0.787  1.00  0.00           C  
HETATM   25  C   UNL     1       6.661  -2.516   0.966  1.00  0.00           C  
HETATM   26  C   UNL     1       7.499  -1.282   0.627  1.00  0.00           C  
HETATM   27  C   UNL     1       8.983  -1.607   0.810  1.00  0.00           C  
HETATM   28  C   UNL     1       9.821  -0.372   0.471  1.00  0.00           C  
HETATM   29  C   UNL     1      11.305  -0.697   0.653  1.00  0.00           C  
HETATM   30  C   UNL     1      12.142   0.537   0.315  1.00  0.00           C  
HETATM   31  C   UNL     1      13.626   0.212   0.497  1.00  0.00           C  
HETATM   32  C   UNL     1      14.464   1.447   0.158  1.00  0.00           C  
HETATM   33  C   UNL     1      15.948   1.122   0.340  1.00  0.00           C  
HETATM   34  C   UNL     1      16.786   2.356   0.002  1.00  0.00           C  
HETATM   35  C   UNL     1      18.270   2.031   0.184  1.00  0.00           C  
HETATM   36  C   UNL     1      19.108   3.266  -0.155  1.00  0.00           C  
HETATM   37  C   UNL     1      20.592   2.941   0.027  1.00  0.00           C  
HETATM   38  C   UNL     1      21.430   4.175  -0.311  1.00  0.00           C  
HETATM   39  C   UNL     1      22.914   3.850  -0.129  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.191  -3.265   3.205  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.531  -2.968   3.038  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.879   2.688   1.990  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.879   5.116   2.103  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.545   6.423   1.115  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.182   5.244   0.658  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.633   4.045   0.948  1.00  0.00           C  
HETATM   47  N   UNL     1     -10.908  -0.628  -4.203  1.00  0.00           N  
HETATM   48  N   UNL     1      -5.874  -2.203   0.916  1.00  0.00           N  
HETATM   49  N   UNL     1       0.679  -3.637   1.728  1.00  0.00           N  
HETATM   50  N   UNL     1       3.528  -1.246  -3.779  1.00  0.00           N  
HETATM   51  N   UNL     1       2.474  -2.136  -5.720  1.00  0.00           N  
HETATM   52  N   UNL     1       3.972  -0.373  -5.882  1.00  0.00           N  
HETATM   53  N   UNL     1       4.268  -3.139   1.030  1.00  0.00           N  
HETATM   54  N   UNL     1      -7.475   3.989   1.675  1.00  0.00           N  
HETATM   55  N   UNL     1      -7.405   6.324   1.828  1.00  0.00           N  
HETATM   56  O   UNL     1      -7.580   2.199   4.292  1.00  0.00           O  
HETATM   57  O   UNL     1      -6.456  -0.046   3.608  1.00  0.00           O  
HETATM   58  O   UNL     1      -6.796  -0.279  -1.042  1.00  0.00           O  
HETATM   59  O   UNL     1      -8.661   0.049  -2.454  1.00  0.00           O  
HETATM   60  O   UNL     1      -7.748   2.795  -4.264  1.00  0.00           O  
HETATM   61  O   UNL     1      -5.677   1.997  -2.905  1.00  0.00           O  
HETATM   62  OXT UNL     1      -9.173  -2.649  -0.673  1.00  0.00           O  
HETATM   63  O   UNL     1      -7.197  -3.625  -0.847  1.00  0.00           O  
HETATM   64  O   UNL     1       4.861  -1.089   0.424  1.00  0.00           O  
HETATM   65  O   UNL     1       2.568  -4.572   2.421  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.786   1.870   0.804  1.00  0.00           O  
HETATM   67  O   UNL     1      -9.021   7.515   0.865  1.00  0.00           O  
HETATM   68  O   UNL     1      -5.853   5.043   2.751  1.00  0.00           O  
HETATM   69  H   UNL     1      -8.858   2.027   2.656  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.246  -0.240   2.570  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.643   0.216   1.331  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.455  -0.132   0.182  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.700   1.565  -1.378  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.681   1.585  -3.416  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.731   0.372  -5.627  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.943  -1.015  -4.838  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.442   0.953  -5.176  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.078   0.040  -3.493  1.00  0.00           H  
HETATM   79  HA  UNL     1      -7.828  -1.984   1.655  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.251  -4.181   1.517  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.154  -2.996   2.842  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.234  -5.063   0.489  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.845  -5.586   0.782  1.00  0.00           H  
HETATM   84  H   UNL     1       0.155  -4.383   3.617  1.00  0.00           H  
HETATM   85  H   UNL     1       0.060  -5.562   2.287  1.00  0.00           H  
HETATM   86  H   UNL     1       2.664  -1.792   1.141  1.00  0.00           H  
HETATM   87  H   UNL     1       2.722  -4.040  -0.922  1.00  0.00           H  
HETATM   88  H   UNL     1       1.383  -2.884  -0.724  1.00  0.00           H  
HETATM   89  H   UNL     1       2.938  -1.005  -1.170  1.00  0.00           H  
HETATM   90  H   UNL     1       4.278  -2.161  -1.367  1.00  0.00           H  
HETATM   91  H   UNL     1       3.078  -3.227  -3.257  1.00  0.00           H  
HETATM   92  H   UNL     1       1.739  -2.072  -3.060  1.00  0.00           H  
HETATM   93  H   UNL     1       6.845  -2.808   2.000  1.00  0.00           H  
HETATM   94  H   UNL     1       6.938  -3.336   0.303  1.00  0.00           H  
HETATM   95  H   UNL     1       7.315  -0.990  -0.407  1.00  0.00           H  
HETATM   96  H   UNL     1       7.222  -0.462   1.291  1.00  0.00           H  
HETATM   97  H   UNL     1       9.167  -1.898   1.844  1.00  0.00           H  
HETATM   98  H   UNL     1       9.259  -2.426   0.147  1.00  0.00           H  
HETATM   99  H   UNL     1       9.637  -0.081  -0.563  1.00  0.00           H  
HETATM  100  H   UNL     1       9.544   0.448   1.134  1.00  0.00           H  
HETATM  101  H   UNL     1      11.488  -0.989   1.687  1.00  0.00           H  
HETATM  102  H   UNL     1      11.581  -1.517  -0.010  1.00  0.00           H  
HETATM  103  H   UNL     1      11.959   0.829  -0.720  1.00  0.00           H  
HETATM  104  H   UNL     1      11.866   1.357   0.978  1.00  0.00           H  
HETATM  105  H   UNL     1      13.810  -0.079   1.531  1.00  0.00           H  
HETATM  106  H   UNL     1      13.903  -0.608  -0.167  1.00  0.00           H  
HETATM  107  H   UNL     1      14.281   1.738  -0.876  1.00  0.00           H  
HETATM  108  H   UNL     1      14.188   2.267   0.821  1.00  0.00           H  
HETATM  109  H   UNL     1      16.132   0.830   1.374  1.00  0.00           H  
HETATM  110  H   UNL     1      16.225   0.302  -0.323  1.00  0.00           H  
HETATM  111  H   UNL     1      16.602   2.648  -1.033  1.00  0.00           H  
HETATM  112  H   UNL     1      16.510   3.176   0.665  1.00  0.00           H  
HETATM  113  H   UNL     1      18.454   1.740   1.218  1.00  0.00           H  
HETATM  114  H   UNL     1      18.546   1.212  -0.479  1.00  0.00           H  
HETATM  115  H   UNL     1      18.924   3.557  -1.189  1.00  0.00           H  
HETATM  116  H   UNL     1      18.831   4.086   0.508  1.00  0.00           H  
HETATM  117  H   UNL     1      20.776   2.649   1.061  1.00  0.00           H  
HETATM  118  H   UNL     1      20.868   2.121  -0.636  1.00  0.00           H  
HETATM  119  H   UNL     1      21.246   4.467  -1.345  1.00  0.00           H  
HETATM  120  H   UNL     1      21.153   4.995   0.352  1.00  0.00           H  
HETATM  121  H   UNL     1      23.097   3.559   0.905  1.00  0.00           H  
HETATM  122  H   UNL     1      23.190   3.030  -0.792  1.00  0.00           H  
HETATM  123  H   UNL     1      23.510   4.730  -0.370  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.617  -2.760   3.968  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.004  -2.231   3.669  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.898   2.815   2.447  1.00  0.00           H  
HETATM  127  H   UNL     1     -10.096   5.303   0.086  1.00  0.00           H  
HETATM  128  H   UNL     1      -9.106   3.135   0.609  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.516   0.150  -3.992  1.00  0.00           H  
HETATM  130  H   UNL     1     -11.337  -1.251  -4.870  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.430  -2.434   0.040  1.00  0.00           H  
HETATM  132  H   UNL     1       0.243  -2.974   1.170  1.00  0.00           H  
HETATM  133  H   UNL     1       4.136  -0.611  -3.371  1.00  0.00           H  
HETATM  134  H   UNL     1       2.000  -2.779  -5.169  1.00  0.00           H  
HETATM  135  H   UNL     1       2.338  -2.129  -6.681  1.00  0.00           H  
HETATM  136  H   UNL     1       3.836  -0.365  -6.842  1.00  0.00           H  
HETATM  137  H   UNL     1       4.539  -4.025   1.320  1.00  0.00           H  
HETATM  138  H   UNL     1      -6.962   7.127   2.144  1.00  0.00           H  
HETATM  139  H   UNL     1      -7.836   3.100   4.529  1.00  0.00           H  
HETATM  140  H   UNL     1      -6.818  -0.066   4.504  1.00  0.00           H  
HETATM  141  H   UNL     1      -6.947   3.218  -4.601  1.00  0.00           H  
HETATM  142  H   UNL     1      -5.044   1.807  -2.200  1.00  0.00           H  
HETATM  143  HXT UNL     1      -9.508  -3.258  -1.346  1.00  0.00           H  
CONECT    1   56    2   42   69                                       
CONECT    2   57    1    3   70                                       
CONECT    3    2   66    4   71                                       
CONECT    4    3   10   58   72                                       
CONECT    5   58    9   59   73                                       
CONECT    6   59    8    7   74                                       
CONECT    7    6   47   75   76                                       
CONECT    8    9    6   60   77                                       
CONECT    9    5   61    8   78                                       
CONECT   10   11    4   48   79                                       
CONECT   11   63   63   62   10                                       
CONECT   12   48   13   80   81                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13   15   82                                       
CONECT   15   14   16   16   83                                       
CONECT   16   15   15   40   17                                       
CONECT   17   49   16   84   85                                       
CONECT   18   65   65   49   19                                       
CONECT   19   18   53   20   86                                       
CONECT   20   19   21   87   88                                       
CONECT   21   22   20   89   90                                       
CONECT   22   50   21   91   92                                       
CONECT   23   52   52   50   51                                       
CONECT   24   53   64   64   25                                       
CONECT   25   24   26   93   94                                       
CONECT   26   25   27   95   96                                       
CONECT   27   26   28   97   98                                       
CONECT   28   27   29   99  100                                       
CONECT   29   28   30  101  102                                       
CONECT   30   29   31  103  104                                       
CONECT   31   30   32  105  106                                       
CONECT   32   31   33  107  108                                       
CONECT   33   32   34  109  110                                       
CONECT   34   33   35  111  112                                       
CONECT   35   34   36  113  114                                       
CONECT   36   35   37  115  116                                       
CONECT   37   36   38  117  118                                       
CONECT   38   37   39  119  120                                       
CONECT   39   38  121  122  123                                       
CONECT   40   41   41   16  124                                       
CONECT   41   13   40   40  125                                       
CONECT   42    1   66   54  126                                       
CONECT   43   68   68   54   55                                       
CONECT   44   55   45   67   67                                       
CONECT   45   46   46   44  127                                       
CONECT   46   54   45   45  128                                       
CONECT   47    7  129  130                                            
CONECT   48   10   12  131                                            
CONECT   49   18   17  132                                            
CONECT   50   23   22  133                                            
CONECT   51   23  134  135                                            
CONECT   52   23   23  136                                            
CONECT   53   19   24  137                                            
CONECT   54   42   43   46                                            
CONECT   55   43   44  138                                            
CONECT   56    1  139                                                 
CONECT   57    2  140                                                 
CONECT   58    4    5                                                 
CONECT   59    5    6                                                 
CONECT   60    8  141                                                 
CONECT   61    9  142                                                 
CONECT   62   11  143                                                 
CONECT   63   11   11                                                 
CONECT   64   24   24                                                 
CONECT   65   18   18                                                 
CONECT   66    3   42                                                 
CONECT   67   44   44                                                 
CONECT   68   43   43                                                 
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    3                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    9                                                      
CONECT   79   10                                                      
CONECT   80   12                                                      
CONECT   81   12                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   28                                                      
CONECT  101   29                                                      
CONECT  102   29                                                      
CONECT  103   30                                                      
CONECT  104   30                                                      
CONECT  105   31                                                      
CONECT  106   31                                                      
CONECT  107   32                                                      
CONECT  108   32                                                      
CONECT  109   33                                                      
CONECT  110   33                                                      
CONECT  111   34                                                      
CONECT  112   34                                                      
CONECT  113   35                                                      
CONECT  114   35                                                      
CONECT  115   36                                                      
CONECT  116   36                                                      
CONECT  117   37                                                      
CONECT  118   37                                                      
CONECT  119   38                                                      
CONECT  120   38                                                      
CONECT  121   39                                                      
CONECT  122   39                                                      
CONECT  123   39                                                      
CONECT  124   40                                                      
CONECT  125   41                                                      
CONECT  126   42                                                      
CONECT  127   45                                                      
CONECT  128   46                                                      
CONECT  129   47                                                      
CONECT  130   47                                                      
CONECT  131   48                                                      
CONECT  132   49                                                      
CONECT  133   50                                                      
CONECT  134   51                                                      
CONECT  135   51                                                      
CONECT  136   52                                                      
CONECT  137   53                                                      
CONECT  138   55                                                      
CONECT  139   56                                                      
CONECT  140   57                                                      
CONECT  141   60                                                      
CONECT  142   61                                                      
CONECT  143   62                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
