COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.000  -2.491   0.359  1.00  0.00           C  
HETATM    2  C   UNL     1       2.944  -2.062   1.484  1.00  0.00           C  
HETATM    3  C   UNL     1       4.390  -2.125   0.989  1.00  0.00           C  
HETATM    4  C   UNL     1       5.333  -1.695   2.115  1.00  0.00           C  
HETATM    5  C   UNL     1       6.780  -1.759   1.620  1.00  0.00           C  
HETATM    6  C   UNL     1       7.723  -1.329   2.745  1.00  0.00           C  
HETATM    7  C   UNL     1       9.148  -1.392   2.258  1.00  0.00           C  
HETATM    8  C   UNL     1       9.915  -0.334   2.342  1.00  0.00           C  
HETATM    9  C   UNL     1      11.340  -0.396   1.854  1.00  0.00           C  
HETATM   10  C   UNL     1      11.578   0.715   0.830  1.00  0.00           C  
HETATM   11  C   UNL     1      13.024   0.652   0.335  1.00  0.00           C  
HETATM   12  C   UNL     1      13.262   1.763  -0.690  1.00  0.00           C  
HETATM   13  C   UNL     1      14.708   1.700  -1.184  1.00  0.00           C  
HETATM   14  C   UNL     1      14.946   2.811  -2.209  1.00  0.00           C  
HETATM   15  C   UNL     1      16.392   2.747  -2.704  1.00  0.00           C  
HETATM   16  C   UNL     1      16.630   3.859  -3.728  1.00  0.00           C  
HETATM   17  C   UNL     1       0.554  -2.428   0.853  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.375  -2.851  -0.255  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.701  -2.872  -0.048  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.536  -3.290  -1.160  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.006  -3.252  -0.738  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.388  -1.903  -0.465  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.750  -1.755  -0.059  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.046  -0.277   0.205  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.534  -0.103   0.517  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.391  -0.505  -0.704  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.556   0.510  -0.696  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.265   1.405   0.530  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.841   1.290   0.741  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.622   2.760   0.251  1.00  0.00           O  
HETATM   31  C   UNL     1      -9.491   3.638   1.371  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.897   5.054   0.960  1.00  0.00           C  
HETATM   33  O   UNL     1     -11.286   5.073   0.626  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.632  -0.386  -1.909  1.00  0.00           O  
HETATM   35  C   UNL     1      -8.094  -1.222  -2.972  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.293  -0.923  -4.241  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.928  -1.296  -4.042  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.270   0.173   1.317  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.823   1.525   1.205  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.903   1.858   2.381  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.716   1.067   2.296  1.00  0.00           O  
HETATM   42  O   UNL     1       0.073  -3.170  -1.331  1.00  0.00           O  
HETATM   43  H   UNL     1       2.123  -1.822  -0.493  1.00  0.00           H  
HETATM   44  H   UNL     1       2.236  -3.511   0.056  1.00  0.00           H  
HETATM   45  H   UNL     1       2.707  -1.041   1.787  1.00  0.00           H  
HETATM   46  H   UNL     1       2.821  -2.731   2.336  1.00  0.00           H  
HETATM   47  H   UNL     1       4.626  -3.145   0.687  1.00  0.00           H  
HETATM   48  H   UNL     1       4.512  -1.456   0.138  1.00  0.00           H  
HETATM   49  H   UNL     1       5.097  -0.675   2.417  1.00  0.00           H  
HETATM   50  H   UNL     1       5.211  -2.365   2.966  1.00  0.00           H  
HETATM   51  H   UNL     1       7.016  -2.779   1.317  1.00  0.00           H  
HETATM   52  H   UNL     1       6.902  -1.090   0.768  1.00  0.00           H  
HETATM   53  H   UNL     1       7.487  -0.309   3.048  1.00  0.00           H  
HETATM   54  H   UNL     1       7.601  -1.998   3.597  1.00  0.00           H  
HETATM   55  H   UNL     1       9.536  -2.309   1.840  1.00  0.00           H  
HETATM   56  H   UNL     1       9.528   0.583   2.760  1.00  0.00           H  
HETATM   57  H   UNL     1      12.019  -0.264   2.697  1.00  0.00           H  
HETATM   58  H   UNL     1      11.523  -1.365   1.389  1.00  0.00           H  
HETATM   59  H   UNL     1      10.899   0.583  -0.013  1.00  0.00           H  
HETATM   60  H   UNL     1      11.395   1.684   1.295  1.00  0.00           H  
HETATM   61  H   UNL     1      13.703   0.784   1.178  1.00  0.00           H  
HETATM   62  H   UNL     1      13.207  -0.317  -0.131  1.00  0.00           H  
HETATM   63  H   UNL     1      12.583   1.631  -1.533  1.00  0.00           H  
HETATM   64  H   UNL     1      13.079   2.731  -0.224  1.00  0.00           H  
HETATM   65  H   UNL     1      15.387   1.831  -0.342  1.00  0.00           H  
HETATM   66  H   UNL     1      14.891   0.731  -1.650  1.00  0.00           H  
HETATM   67  H   UNL     1      14.267   2.679  -3.052  1.00  0.00           H  
HETATM   68  H   UNL     1      14.763   3.779  -1.743  1.00  0.00           H  
HETATM   69  H   UNL     1      17.071   2.879  -1.861  1.00  0.00           H  
HETATM   70  H   UNL     1      16.575   1.779  -3.169  1.00  0.00           H  
HETATM   71  H   UNL     1      17.660   3.813  -4.081  1.00  0.00           H  
HETATM   72  H   UNL     1      15.952   3.727  -4.571  1.00  0.00           H  
HETATM   73  H   UNL     1      16.448   4.827  -3.263  1.00  0.00           H  
HETATM   74  H   UNL     1       0.432  -3.097   1.705  1.00  0.00           H  
HETATM   75  H   UNL     1       0.318  -1.407   1.156  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.382  -2.616  -2.003  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.268  -4.306  -1.454  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.625  -3.650  -1.542  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.142  -3.857   0.159  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.406  -2.121  -0.849  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.923  -2.328   0.851  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.790   0.308  -0.678  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.810  -0.699   1.387  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.766  -1.522  -0.589  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.553   1.102  -1.610  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.509  -0.005  -0.578  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.809   1.042   1.402  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.137   3.294   2.179  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.455   3.641   1.711  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.713   5.740   1.787  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.311   5.363   0.094  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.613   5.942   0.355  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.960  -2.268  -2.696  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.151  -1.027  -3.154  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.707  -1.491  -5.074  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.350   0.142  -4.463  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.346  -1.064  -4.778  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.277   1.651   0.270  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.684   2.194   1.216  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.639   2.915   2.348  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.418   1.641   3.318  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.086   1.225   3.012  1.00  0.00           H  
CONECT    1    2   17   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3    4    2   47   48                                       
CONECT    4    5    3   49   50                                       
CONECT    5    4    6   51   52                                       
CONECT    6    5    7   53   54                                       
CONECT    7    8    8    6   55                                       
CONECT    8    9    7    7   56                                       
CONECT    9   10    8   57   58                                       
CONECT   10   11    9   59   60                                       
CONECT   11   12   10   61   62                                       
CONECT   12   13   11   63   64                                       
CONECT   13   14   12   65   66                                       
CONECT   14   15   13   67   68                                       
CONECT   15   16   14   69   70                                       
CONECT   16   15   71   72   73                                       
CONECT   17    1   18   74   75                                       
CONECT   18   42   42   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   76   77                                       
CONECT   21   22   20   78   79                                       
CONECT   22   23   21                                                 
CONECT   23   24   22   80   81                                       
CONECT   24   25   23   38   82                                       
CONECT   25   29   24   26   83                                       
CONECT   26   25   27   34   84                                       
CONECT   27   28   26   85   86                                       
CONECT   28   30   29   27   87                                       
CONECT   29   28   25                                                 
CONECT   30   31   28                                                 
CONECT   31   32   30   88   89                                       
CONECT   32   33   31   90   91                                       
CONECT   33   32   92                                                 
CONECT   34   26   35                                                 
CONECT   35   34   36   93   94                                       
CONECT   36   35   37   95   96                                       
CONECT   37   36   97                                                 
CONECT   38   24   39                                                 
CONECT   39   38   40   98   99                                       
CONECT   40   39   41  100  101                                       
CONECT   41   40  102                                                 
CONECT   42   18   18                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   41                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
