COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.780   2.236   9.975  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.903   1.067   9.520  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.619   1.507   7.163  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.123   0.898   5.844  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.205  -0.240   5.450  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.254  -1.322   6.564  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.490  -2.478   5.909  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.023  -2.464   4.450  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.534  -1.026   4.185  1.00  0.00           C  
HETATM   10  C   UNL     1       0.239   0.258   5.390  1.00  0.00           C  
HETATM   11  C   UNL     1       0.503   1.577   9.205  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.189   1.726  10.286  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.118   0.678  11.399  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.240  -0.489  10.944  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.832   0.020  10.634  1.00  0.00           C  
HETATM   16  C   UNL     1       0.044  -1.148  10.180  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.553  -1.779   8.921  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.620  -0.731   7.809  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.498   0.448   8.253  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.810  -0.420   2.981  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.279   1.021   2.777  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.126  -1.241   1.730  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.402  -0.635   0.526  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.434   0.201  11.688  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.430   0.351   6.029  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.714  -1.444  -0.706  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.259  -1.041  -1.909  1.00  0.00           N  
HETATM   28  C   UNL     1       0.516   0.196  -2.022  1.00  0.00           C  
HETATM   29  C   UNL     1       2.004  -0.116  -1.850  1.00  0.00           C  
HETATM   30  C   UNL     1       2.814   1.176  -1.967  1.00  0.00           C  
HETATM   31  N   UNL     1       4.238   0.876  -1.802  1.00  0.00           N  
HETATM   32  C   UNL     1       5.147   1.869  -1.868  1.00  0.00           C  
HETATM   33  C   UNL     1       6.613   1.561  -1.698  1.00  0.00           C  
HETATM   34  O   UNL     1       7.369   2.768  -1.808  1.00  0.00           O  
HETATM   35  C   UNL     1       7.057   0.580  -2.784  1.00  0.00           C  
HETATM   36  O   UNL     1       6.839   1.163  -4.071  1.00  0.00           O  
HETATM   37  C   UNL     1       8.545   0.267  -2.612  1.00  0.00           C  
HETATM   38  O   UNL     1       9.301   1.475  -2.722  1.00  0.00           O  
HETATM   39  C   UNL     1       8.989  -0.713  -3.698  1.00  0.00           C  
HETATM   40  O   UNL     1       8.233  -1.920  -3.588  1.00  0.00           O  
HETATM   41  C   UNL     1      10.477  -1.026  -3.526  1.00  0.00           C  
HETATM   42  O   UNL     1      10.892  -1.942  -4.541  1.00  0.00           O  
HETATM   43  O   UNL     1       4.786   3.010  -2.064  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.539  -1.841  -3.104  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.787  -1.295  -3.802  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.009  -2.051  -5.113  1.00  0.00           C  
HETATM   47  N   UNL     1      -3.204  -1.529  -5.782  1.00  0.00           N  
HETATM   48  C   UNL     1      -3.597  -2.047  -6.962  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.825  -1.510  -7.649  1.00  0.00           C  
HETATM   50  O   UNL     1      -5.033  -2.216  -8.874  1.00  0.00           O  
HETATM   51  C   UNL     1      -4.634  -0.021  -7.945  1.00  0.00           C  
HETATM   52  O   UNL     1      -3.498   0.153  -8.794  1.00  0.00           O  
HETATM   53  C   UNL     1      -5.881   0.524  -8.643  1.00  0.00           C  
HETATM   54  O   UNL     1      -6.089  -0.181  -9.868  1.00  0.00           O  
HETATM   55  C   UNL     1      -5.690   2.013  -8.939  1.00  0.00           C  
HETATM   56  O   UNL     1      -5.482   2.719  -7.714  1.00  0.00           O  
HETATM   57  C   UNL     1      -6.937   2.559  -9.637  1.00  0.00           C  
HETATM   58  O   UNL     1      -6.758   3.949  -9.913  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.961  -2.947  -7.471  1.00  0.00           O  
HETATM   60  O   UNL     1      -1.374  -2.457  -0.616  1.00  0.00           O  
HETATM   61  H   UNL     1      -1.830   2.983   9.183  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.350   2.684  10.871  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.318   2.278   7.490  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.642   1.961   6.996  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.148   1.663   5.067  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.285  -1.614   6.766  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.727  -3.423   6.398  1.00  0.00           H  
HETATM   68  H   UNL     1       0.583  -2.291   5.929  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.841  -3.177   4.344  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.219  -2.710   3.756  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.610  -1.033   4.014  1.00  0.00           H  
HETATM   72  H   UNL     1       0.497   0.739   6.333  1.00  0.00           H  
HETATM   73  H   UNL     1       0.907  -0.585   5.219  1.00  0.00           H  
HETATM   74  H   UNL     1       0.343   0.974   4.575  1.00  0.00           H  
HETATM   75  H   UNL     1       0.935   2.028  10.099  1.00  0.00           H  
HETATM   76  H   UNL     1       1.128   0.744   8.881  1.00  0.00           H  
HETATM   77  H   UNL     1       0.451   2.323   8.412  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.618   1.276   9.391  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.813   2.558  10.610  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.690   1.127  12.294  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.669  -0.939  10.049  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.190  -1.236  11.737  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.403   0.471  11.529  1.00  0.00           H  
HETATM   84  H   UNL     1       0.093  -1.894  10.973  1.00  0.00           H  
HETATM   85  H   UNL     1       1.049  -0.785   9.962  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.558  -2.142   9.139  1.00  0.00           H  
HETATM   87  H   UNL     1       0.071  -2.611   8.600  1.00  0.00           H  
HETATM   88  H   UNL     1       0.384  -0.376   7.577  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.491   0.063   8.482  1.00  0.00           H  
HETATM   90  H   UNL     1       0.264  -0.430   3.161  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.354   1.032   2.598  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.054   1.606   3.669  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.763   1.453   1.919  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.792  -2.268   1.875  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.201  -1.231   1.550  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.737   0.392   0.380  1.00  0.00           H  
HETATM   97  H   UNL     1       0.672  -0.645   0.705  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.953   0.966  11.970  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.002   1.080   6.307  1.00  0.00           H  
HETATM  100  H   UNL     1       0.350   0.641  -3.003  1.00  0.00           H  
HETATM  101  H   UNL     1       0.199   0.895  -1.248  1.00  0.00           H  
HETATM  102  H   UNL     1       2.170  -0.561  -0.868  1.00  0.00           H  
HETATM  103  H   UNL     1       2.320  -0.815  -2.624  1.00  0.00           H  
HETATM  104  H   UNL     1       2.647   1.621  -2.949  1.00  0.00           H  
HETATM  105  H   UNL     1       2.497   1.875  -1.193  1.00  0.00           H  
HETATM  106  H   UNL     1       4.527  -0.035  -1.645  1.00  0.00           H  
HETATM  107  H   UNL     1       6.779   1.116  -0.717  1.00  0.00           H  
HETATM  108  H   UNL     1       7.194   3.129  -2.688  1.00  0.00           H  
HETATM  109  H   UNL     1       6.480  -0.340  -2.700  1.00  0.00           H  
HETATM  110  H   UNL     1       7.366   1.973  -4.103  1.00  0.00           H  
HETATM  111  H   UNL     1       8.711  -0.177  -1.631  1.00  0.00           H  
HETATM  112  H   UNL     1       9.126   1.835  -3.602  1.00  0.00           H  
HETATM  113  H   UNL     1       8.823  -0.268  -4.680  1.00  0.00           H  
HETATM  114  H   UNL     1       8.408  -2.281  -2.708  1.00  0.00           H  
HETATM  115  H   UNL     1      11.054  -0.105  -3.610  1.00  0.00           H  
HETATM  116  H   UNL     1      10.643  -1.470  -2.545  1.00  0.00           H  
HETATM  117  H   UNL     1      11.833  -2.112  -4.396  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.709  -2.878  -2.815  1.00  0.00           H  
HETATM  119  H   UNL     1       0.310  -1.788  -3.785  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.653  -1.429  -3.154  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.650  -0.235  -4.013  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.143  -1.918  -5.761  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.146  -3.112  -4.903  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.711  -0.810  -5.375  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.692  -1.643  -7.002  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.246  -2.072  -9.417  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.475   0.517  -7.011  1.00  0.00           H  
HETATM  128  H   UNL     1      -3.679  -0.337  -9.608  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.748   0.391  -7.995  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.302  -0.038 -10.411  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.823   2.146  -9.587  1.00  0.00           H  
HETATM  132  H   UNL     1      -6.269   2.575  -7.172  1.00  0.00           H  
HETATM  133  H   UNL     1      -7.096   2.020 -10.571  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.804   2.425  -8.989  1.00  0.00           H  
HETATM  135  H   UNL     1      -7.565   4.253 -10.352  1.00  0.00           H  
CONECT    1    2   12   61   62                                       
CONECT    2    1   11   15   19                                       
CONECT    3    4   19   63   64                                       
CONECT    4    3    5   25   65                                       
CONECT    5    4    6    9   10                                       
CONECT    6    5    7   18   66                                       
CONECT    7    6    8   67   68                                       
CONECT    8    7    9   69   70                                       
CONECT    9    5    8   20   71                                       
CONECT   10    5   72   73   74                                       
CONECT   11    2   75   76   77                                       
CONECT   12    1   13   78   79                                       
CONECT   13   12   14   24   80                                       
CONECT   14   13   15   81   82                                       
CONECT   15    2   14   16   83                                       
CONECT   16   15   17   84   85                                       
CONECT   17   16   18   86   87                                       
CONECT   18    6   17   19   88                                       
CONECT   19    2    3   18   89                                       
CONECT   20    9   21   22   90                                       
CONECT   21   20   91   92   93                                       
CONECT   22   20   23   94   95                                       
CONECT   23   22   26   96   97                                       
CONECT   24   13   98                                                 
CONECT   25    4   99                                                 
CONECT   26   23   27   60   60                                       
CONECT   27   26   28   44                                            
CONECT   28   27   29  100  101                                       
CONECT   29   28   30  102  103                                       
CONECT   30   29   31  104  105                                       
CONECT   31   30   32  106                                            
CONECT   32   31   33   43   43                                       
CONECT   33   32   34   35  107                                       
CONECT   34   33  108                                                 
CONECT   35   33   36   37  109                                       
CONECT   36   35  110                                                 
CONECT   37   35   38   39  111                                       
CONECT   38   37  112                                                 
CONECT   39   37   40   41  113                                       
CONECT   40   39  114                                                 
CONECT   41   39   42  115  116                                       
CONECT   42   41  117                                                 
CONECT   43   32   32                                                 
CONECT   44   27   45  118  119                                       
CONECT   45   44   46  120  121                                       
CONECT   46   45   47  122  123                                       
CONECT   47   46   48  124                                            
CONECT   48   47   49   59   59                                       
CONECT   49   48   50   51  125                                       
CONECT   50   49  126                                                 
CONECT   51   49   52   53  127                                       
CONECT   52   51  128                                                 
CONECT   53   51   54   55  129                                       
CONECT   54   53  130                                                 
CONECT   55   53   56   57  131                                       
CONECT   56   55  132                                                 
CONECT   57   55   58  133  134                                       
CONECT   58   57  135                                                 
CONECT   59   48   48                                                 
CONECT   60   26   26                                                 
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   12                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   17                                                      
CONECT   87   17                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   20                                                      
CONECT   91   21                                                      
CONECT   92   21                                                      
CONECT   93   21                                                      
CONECT   94   22                                                      
CONECT   95   22                                                      
CONECT   96   23                                                      
CONECT   97   23                                                      
CONECT   98   24                                                      
CONECT   99   25                                                      
CONECT  100   28                                                      
CONECT  101   28                                                      
CONECT  102   29                                                      
CONECT  103   29                                                      
CONECT  104   30                                                      
CONECT  105   30                                                      
CONECT  106   31                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   38                                                      
CONECT  113   39                                                      
CONECT  114   40                                                      
CONECT  115   41                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   44                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   49                                                      
CONECT  126   50                                                      
CONECT  127   51                                                      
CONECT  128   52                                                      
CONECT  129   53                                                      
CONECT  130   54                                                      
CONECT  131   55                                                      
CONECT  132   56                                                      
CONECT  133   57                                                      
CONECT  134   57                                                      
CONECT  135   58                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
