COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.420   1.761   0.497  1.00  0.00           C  
HETATM    2  C   UNL     1       3.032   0.640  -0.303  1.00  0.00           C  
HETATM    3  C   UNL     1       4.303   0.150   0.394  1.00  0.00           C  
HETATM    4  C   UNL     1       4.855  -1.067  -0.350  1.00  0.00           C  
HETATM    5  C   UNL     1       6.054  -1.632   0.416  1.00  0.00           C  
HETATM    6  C   UNL     1       6.606  -2.850  -0.327  1.00  0.00           C  
HETATM    7  C   UNL     1       7.804  -3.414   0.438  1.00  0.00           C  
HETATM    8  C   UNL     1       8.357  -4.632  -0.305  1.00  0.00           C  
HETATM    9  C   UNL     1       9.555  -5.197   0.461  1.00  0.00           C  
HETATM   10  C   UNL     1      10.107  -6.415  -0.283  1.00  0.00           C  
HETATM   11  C   UNL     1      11.305  -6.979   0.483  1.00  0.00           C  
HETATM   12  C   UNL     1      11.858  -8.197  -0.261  1.00  0.00           C  
HETATM   13  C   UNL     1      13.056  -8.762   0.505  1.00  0.00           C  
HETATM   14  C   UNL     1      13.609  -9.979  -0.238  1.00  0.00           C  
HETATM   15  O   UNL     1       2.948   2.131   1.524  1.00  0.00           O  
HETATM   16  O   UNL     1       5.279   1.194   0.391  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.599   1.983   0.207  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.343   0.837   0.896  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.643   0.548   0.142  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.325  -0.677   0.755  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.558  -1.042  -0.074  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.241  -2.267   0.538  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.474  -2.632  -0.291  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.156  -3.857   0.322  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.389  -4.221  -0.507  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.071  -5.446   0.105  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.304  -5.811  -0.724  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.987  -7.036  -0.112  1.00  0.00           C  
HETATM   29  C   UNL     1     -14.220  -7.400  -0.941  1.00  0.00           C  
HETATM   30  C   UNL     1     -14.902  -8.625  -0.328  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.195   1.571  -1.100  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.513   1.677   0.242  1.00  0.00           O  
HETATM   33  C   UNL     1       1.363   4.770   0.455  1.00  0.00           C  
HETATM   34  C   UNL     1       0.697   3.448   0.845  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.803   3.534   0.546  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.395   4.728   1.301  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.648   6.001   0.894  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.194   7.189   1.688  1.00  0.00           C  
HETATM   39  N   UNL     1       1.288   2.355   0.070  1.00  0.00           N  
HETATM   40  O   UNL     1       1.212   4.984  -0.950  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.446   2.331   0.975  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.780   4.861   0.975  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.579   8.394   1.225  1.00  0.00           O  
HETATM   44  O   UNL     1       0.745   5.842   1.169  1.00  0.00           O  
HETATM   45  O   UNL     1       2.317   7.335  -1.354  1.00  0.00           O  
HETATM   46  P   UNL     1       2.283   5.798  -1.834  1.00  0.00           P  
HETATM   47  O   UNL     1       3.625   5.198  -1.660  1.00  0.00           O  
HETATM   48  O   UNL     1       1.862   5.730  -3.386  1.00  0.00           O  
HETATM   49  H   UNL     1       2.320  -0.182  -0.380  1.00  0.00           H  
HETATM   50  H   UNL     1       3.280   1.000  -1.301  1.00  0.00           H  
HETATM   51  H   UNL     1       4.070  -0.126   1.422  1.00  0.00           H  
HETATM   52  H   UNL     1       4.080  -1.830  -0.425  1.00  0.00           H  
HETATM   53  H   UNL     1       5.171  -0.770  -1.350  1.00  0.00           H  
HETATM   54  H   UNL     1       6.829  -0.870   0.491  1.00  0.00           H  
HETATM   55  H   UNL     1       5.738  -1.929   1.416  1.00  0.00           H  
HETATM   56  H   UNL     1       5.831  -3.612  -0.403  1.00  0.00           H  
HETATM   57  H   UNL     1       6.922  -2.552  -1.328  1.00  0.00           H  
HETATM   58  H   UNL     1       8.579  -2.652   0.514  1.00  0.00           H  
HETATM   59  H   UNL     1       7.489  -3.712   1.438  1.00  0.00           H  
HETATM   60  H   UNL     1       7.581  -5.395  -0.380  1.00  0.00           H  
HETATM   61  H   UNL     1       8.672  -4.335  -1.305  1.00  0.00           H  
HETATM   62  H   UNL     1      10.330  -4.435   0.536  1.00  0.00           H  
HETATM   63  H   UNL     1       9.239  -5.494   1.461  1.00  0.00           H  
HETATM   64  H   UNL     1       9.332  -7.177  -0.358  1.00  0.00           H  
HETATM   65  H   UNL     1      10.423  -6.117  -1.283  1.00  0.00           H  
HETATM   66  H   UNL     1      12.081  -6.217   0.558  1.00  0.00           H  
HETATM   67  H   UNL     1      10.990  -7.277   1.483  1.00  0.00           H  
HETATM   68  H   UNL     1      11.083  -8.960  -0.336  1.00  0.00           H  
HETATM   69  H   UNL     1      12.173  -7.900  -1.261  1.00  0.00           H  
HETATM   70  H   UNL     1      13.831  -7.999   0.581  1.00  0.00           H  
HETATM   71  H   UNL     1      12.741  -9.059   1.505  1.00  0.00           H  
HETATM   72  H   UNL     1      12.833 -10.742  -0.313  1.00  0.00           H  
HETATM   73  H   UNL     1      13.924  -9.682  -1.238  1.00  0.00           H  
HETATM   74  H   UNL     1      14.462 -10.382   0.307  1.00  0.00           H  
HETATM   75  H   UNL     1       5.535   1.491  -0.493  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.258   2.848   0.128  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.717  -0.055   0.895  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.574   1.119   1.923  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.420   0.352  -0.906  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.629  -1.516   0.760  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.629  -0.451   1.777  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.254  -0.203  -0.079  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.255  -1.268  -1.096  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.545  -3.106   0.543  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.544  -2.041   1.561  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.170  -1.793  -0.295  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.170  -2.858  -1.313  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.460  -4.696   0.326  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.459  -3.631   1.344  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.085  -3.382  -0.512  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.086  -4.447  -1.530  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.376  -6.285   0.110  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.375  -5.220   1.127  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.000  -4.972  -0.729  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.001  -6.037  -1.746  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.291  -7.875  -0.107  1.00  0.00           H  
HETATM   97  H   UNL     1     -13.290  -6.810   0.911  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.916  -6.562  -0.945  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.917  -7.627  -1.963  1.00  0.00           H  
HETATM  100  H   UNL     1     -14.206  -9.465  -0.324  1.00  0.00           H  
HETATM  101  H   UNL     1     -15.205  -8.399   0.694  1.00  0.00           H  
HETATM  102  H   UNL     1     -15.781  -8.885  -0.919  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.606   0.804  -1.106  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.754   1.908   1.149  1.00  0.00           H  
HETATM  105  H   UNL     1       2.423   4.730   0.704  1.00  0.00           H  
HETATM  106  H   UNL     1       0.847   3.264   1.908  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.955   3.666  -0.525  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.288   4.570   2.374  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.790   6.180  -0.172  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.273   7.255   1.548  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.972   7.051   2.746  1.00  0.00           H  
HETATM  112  H   UNL     1       0.865   2.058  -0.752  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.220   5.599   1.418  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.878   9.190   1.686  1.00  0.00           H  
HETATM  115  H   UNL     1       1.470   7.793  -1.439  1.00  0.00           H  
HETATM  116  H   UNL     1       2.464   6.201  -3.978  1.00  0.00           H  
CONECT    1   39   15   15    2                                       
CONECT    2    1    3   49   50                                       
CONECT    3   16    2    4   51                                       
CONECT    4    3    5   52   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6    5    7   56   57                                       
CONECT    7    6    8   58   59                                       
CONECT    8    7    9   60   61                                       
CONECT    9   10    8   62   63                                       
CONECT   10   11    9   64   65                                       
CONECT   11   12   10   66   67                                       
CONECT   12   13   11   68   69                                       
CONECT   13   14   12   70   71                                       
CONECT   14   13   72   73   74                                       
CONECT   15    1    1                                                 
CONECT   16    3   75                                                 
CONECT   17   41   31   18   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   32   18   20   79                                       
CONECT   20   19   21   80   81                                       
CONECT   21   20   22   82   83                                       
CONECT   22   21   23   84   85                                       
CONECT   23   22   24   86   87                                       
CONECT   24   23   25   88   89                                       
CONECT   25   24   26   90   91                                       
CONECT   26   25   27   92   93                                       
CONECT   27   28   26   94   95                                       
CONECT   28   29   27   96   97                                       
CONECT   29   30   28   98   99                                       
CONECT   30   29  100  101  102                                       
CONECT   31   17  103                                                 
CONECT   32   19  104                                                 
CONECT   33   44   40   34  105                                       
CONECT   34   33   35   39  106                                       
CONECT   35   36   34   41  107                                       
CONECT   36   37   42   35  108                                       
CONECT   37   38   44   36  109                                       
CONECT   38   43   37  110  111                                       
CONECT   39   34    1  112                                            
CONECT   40   46   33                                                 
CONECT   41   35   17                                                 
CONECT   42   36  113                                                 
CONECT   43   38  114                                                 
CONECT   44   37   33                                                 
CONECT   45   46  115                                                 
CONECT   46   47   47   45   48                                       
CONECT   46   40                                                      
CONECT   47   46   46                                                 
CONECT   48   46  116                                                 
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   30                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   38                                                      
CONECT  111   38                                                      
CONECT  112   39                                                      
CONECT  113   42                                                      
CONECT  114   43                                                      
CONECT  115   45                                                      
CONECT  116   48                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
