COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.474  -0.537   0.420  1.00  0.00           C  
HETATM    2  O   UNL     1       8.641  -0.220   1.581  1.00  0.00           O  
HETATM    3  O   UNL     1       9.518  -0.953  -0.321  1.00  0.00           O  
HETATM    4  C   UNL     1      10.844  -1.023   0.267  1.00  0.00           C  
HETATM    5  C   UNL     1      11.841  -1.522  -0.780  1.00  0.00           C  
HETATM    6  C   UNL     1      13.256  -1.477  -0.199  1.00  0.00           C  
HETATM    7  C   UNL     1      11.495  -2.960  -1.169  1.00  0.00           C  
HETATM    8  N   UNL     1       7.243  -0.472  -0.126  1.00  0.00           N  
HETATM    9  C   UNL     1       6.107  -0.020   0.680  1.00  0.00           C  
HETATM   10  C   UNL     1       6.039   1.509   0.653  1.00  0.00           C  
HETATM   11  C   UNL     1       7.334   2.087   1.228  1.00  0.00           C  
HETATM   12  C   UNL     1       7.267   3.615   1.201  1.00  0.00           C  
HETATM   13  C   UNL     1       7.091   4.092  -0.242  1.00  0.00           C  
HETATM   14  C   UNL     1       5.796   3.514  -0.816  1.00  0.00           C  
HETATM   15  C   UNL     1       5.863   1.986  -0.790  1.00  0.00           C  
HETATM   16  C   UNL     1       4.832  -0.589   0.114  1.00  0.00           C  
HETATM   17  O   UNL     1       4.868  -1.303  -0.866  1.00  0.00           O  
HETATM   18  N   UNL     1       3.650  -0.305   0.698  1.00  0.00           N  
HETATM   19  C   UNL     1       2.423  -0.944   0.216  1.00  0.00           C  
HETATM   20  C   UNL     1       2.223  -2.277   0.941  1.00  0.00           C  
HETATM   21  C   UNL     1       0.979  -2.975   0.390  1.00  0.00           C  
HETATM   22  C   UNL     1       1.215  -3.360  -1.072  1.00  0.00           C  
HETATM   23  C   UNL     1       0.696  -4.236   1.209  1.00  0.00           C  
HETATM   24  C   UNL     1       1.247  -0.042   0.488  1.00  0.00           C  
HETATM   25  O   UNL     1       1.340   0.844   1.311  1.00  0.00           O  
HETATM   26  N   UNL     1       0.091  -0.221  -0.182  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.005   0.737  -0.020  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.802   1.912  -0.978  1.00  0.00           C  
HETATM   29  C   UNL     1       0.465   2.676  -0.586  1.00  0.00           C  
HETATM   30  C   UNL     1       0.668   3.852  -1.543  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.324  -1.003  -0.905  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.315   0.058  -0.329  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.590   1.764   0.654  1.00  0.00           O  
HETATM   34  N   UNL     1      -4.771   0.091  -0.200  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.033   0.719   0.198  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.185  -0.156  -0.225  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.972  -1.202  -0.802  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.599   0.698   0.076  1.00  0.00           C  
HETATM   39  N   UNL     1      -8.451   0.223   0.038  1.00  0.00           N  
HETATM   40  C   UNL     1      -9.571  -0.628  -0.373  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.760  -0.356   0.512  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.051   0.939   0.899  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.144   1.189   1.708  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.941   0.144   2.136  1.00  0.00           C  
HETATM   45  C   UNL     1     -12.646  -1.151   1.753  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.556  -1.401   0.941  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.931  -0.327  -1.805  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.314   0.516  -2.422  1.00  0.00           O  
HETATM   49  N   UNL     1     -10.940  -0.993  -2.401  1.00  0.00           N  
HETATM   50  H   UNL     1      11.142  -0.032   0.610  1.00  0.00           H  
HETATM   51  H   UNL     1      10.830  -1.711   1.113  1.00  0.00           H  
HETATM   52  H   UNL     1      11.791  -0.884  -1.663  1.00  0.00           H  
HETATM   53  H   UNL     1      13.307  -2.115   0.683  1.00  0.00           H  
HETATM   54  H   UNL     1      13.966  -1.833  -0.945  1.00  0.00           H  
HETATM   55  H   UNL     1      13.503  -0.452   0.078  1.00  0.00           H  
HETATM   56  H   UNL     1      12.205  -3.316  -1.916  1.00  0.00           H  
HETATM   57  H   UNL     1      11.546  -3.598  -0.287  1.00  0.00           H  
HETATM   58  H   UNL     1      10.487  -2.992  -1.583  1.00  0.00           H  
HETATM   59  H   UNL     1       7.110  -0.725  -1.053  1.00  0.00           H  
HETATM   60  H   UNL     1       6.232  -0.360   1.708  1.00  0.00           H  
HETATM   61  H   UNL     1       5.194   1.845   1.253  1.00  0.00           H  
HETATM   62  H   UNL     1       7.460   1.746   2.255  1.00  0.00           H  
HETATM   63  H   UNL     1       8.180   1.750   0.628  1.00  0.00           H  
HETATM   64  H   UNL     1       6.421   3.952   1.801  1.00  0.00           H  
HETATM   65  H   UNL     1       8.189   4.027   1.610  1.00  0.00           H  
HETATM   66  H   UNL     1       7.042   5.181  -0.261  1.00  0.00           H  
HETATM   67  H   UNL     1       7.936   3.756  -0.842  1.00  0.00           H  
HETATM   68  H   UNL     1       4.950   3.851  -0.216  1.00  0.00           H  
HETATM   69  H   UNL     1       5.670   3.855  -1.844  1.00  0.00           H  
HETATM   70  H   UNL     1       6.709   1.649  -1.389  1.00  0.00           H  
HETATM   71  H   UNL     1       4.941   1.574  -1.199  1.00  0.00           H  
HETATM   72  H   UNL     1       3.612   0.322   1.437  1.00  0.00           H  
HETATM   73  H   UNL     1       2.503  -1.123  -0.857  1.00  0.00           H  
HETATM   74  H   UNL     1       3.096  -2.910   0.783  1.00  0.00           H  
HETATM   75  H   UNL     1       2.094  -2.094   2.008  1.00  0.00           H  
HETATM   76  H   UNL     1       0.125  -2.301   0.454  1.00  0.00           H  
HETATM   77  H   UNL     1       0.322  -3.841  -1.470  1.00  0.00           H  
HETATM   78  H   UNL     1       1.435  -2.464  -1.653  1.00  0.00           H  
HETATM   79  H   UNL     1       2.058  -4.049  -1.135  1.00  0.00           H  
HETATM   80  H   UNL     1       0.528  -3.962   2.251  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.190  -4.734   0.817  1.00  0.00           H  
HETATM   82  H   UNL     1       1.550  -4.910   1.145  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.014  -0.984  -0.772  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.019   1.103   1.007  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.661   2.580  -0.921  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.699   1.538  -1.996  1.00  0.00           H  
HETATM   87  H   UNL     1       1.324   2.008  -0.642  1.00  0.00           H  
HETATM   88  H   UNL     1       0.362   3.051   0.433  1.00  0.00           H  
HETATM   89  H   UNL     1       1.571   4.396  -1.264  1.00  0.00           H  
HETATM   90  H   UNL     1       0.771   3.477  -2.562  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.191   4.520  -1.487  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.778  -0.762  -0.663  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.051   0.845   1.280  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.121   1.693  -0.283  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.621   1.059   0.499  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.283  -1.675  -0.283  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.429   1.756   0.564  1.00  0.00           H  
HETATM   98  H   UNL     1     -12.374   2.201   2.006  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.793   0.339   2.770  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.268  -1.968   2.088  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.325  -2.413   0.642  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.434  -1.667  -1.908  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.172  -0.800  -3.322  1.00  0.00           H  
CONECT    1    2    2    3    8                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   50   51                                       
CONECT    5    4    6    7   52                                       
CONECT    6    5   53   54   55                                       
CONECT    7    5   56   57   58                                       
CONECT    8    1    9   59                                            
CONECT    9    8   10   16   60                                       
CONECT   10    9   11   15   61                                       
CONECT   11   10   12   62   63                                       
CONECT   12   11   13   64   65                                       
CONECT   13   12   14   66   67                                       
CONECT   14   13   15   68   69                                       
CONECT   15   10   14   70   71                                       
CONECT   16    9   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   72                                            
CONECT   19   18   20   24   73                                       
CONECT   20   19   21   74   75                                       
CONECT   21   20   22   23   76                                       
CONECT   22   21   77   78   79                                       
CONECT   23   21   80   81   82                                       
CONECT   24   19   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   83                                            
CONECT   27   26   28   32   84                                       
CONECT   28   27   29   85   86                                       
CONECT   29   28   30   87   88                                       
CONECT   30   29   89   90   91                                       
CONECT   31   32   32                                                 
CONECT   32   27   31   31   38                                       
CONECT   33   38   38                                                 
CONECT   34   35   38   92                                            
CONECT   35   34   36   93   94                                       
CONECT   36   35   37   37   39                                       
CONECT   37   36   36                                                 
CONECT   38   32   33   33   34                                       
CONECT   39   36   40   95                                            
CONECT   40   39   41   47   96                                       
CONECT   41   40   42   46   46                                       
CONECT   42   41   43   43   97                                       
CONECT   43   42   42   44   98                                       
CONECT   44   43   45   45   99                                       
CONECT   45   44   44   46  100                                       
CONECT   46   41   41   45  101                                       
CONECT   47   40   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47  102  103                                            
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
