COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       3.545  -1.083  -0.021  1.00  0.00           N  
HETATM    2  C   UNL     1       2.187  -1.620  -0.180  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.500  -2.226   2.216  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.002  -0.995  -3.934  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.302  -0.650  -3.615  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.951  -0.212  -3.494  1.00  0.00           C  
HETATM    7  C   UNL     1      10.434   3.871   0.911  1.00  0.00           C  
HETATM    8  C   UNL     1      11.519   3.244   0.327  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.552   0.480  -2.858  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.201   0.920  -2.741  1.00  0.00           C  
HETATM   11  C   UNL     1       9.165   3.355   0.711  1.00  0.00           C  
HETATM   12  C   UNL     1       6.325  -0.061  -1.363  1.00  0.00           C  
HETATM   13  C   UNL     1       5.316   1.644  -0.010  1.00  0.00           C  
HETATM   14  C   UNL     1       7.571   0.486  -1.133  1.00  0.00           C  
HETATM   15  C   UNL     1       6.557   2.199   0.227  1.00  0.00           C  
HETATM   16  C   UNL     1      10.174   1.643  -0.641  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.069  -0.109   1.149  1.00  0.00           C  
HETATM   18  C   UNL     1       1.203  -0.705   0.502  1.00  0.00           C  
HETATM   19  O   UNL     1       1.594   0.296   1.064  1.00  0.00           O  
HETATM   20  N   UNL     1      -8.449   3.977   0.405  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.595   3.690   1.588  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.639  -1.694   0.378  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.726   1.264   2.722  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.118  -2.565   2.444  1.00  0.00           O  
HETATM   25  C   UNL     1       2.112  -3.011   0.452  1.00  0.00           C  
HETATM   26  C   UNL     1       3.841  -0.085  -1.058  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.773   2.494  -1.594  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.311   3.312   0.685  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.463  -0.660   0.987  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.882   0.602   1.466  1.00  0.00           C  
HETATM   31  C   UNL     1       5.199   0.516  -0.803  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.501   1.263  -2.419  1.00  0.00           C  
HETATM   33  C   UNL     1       7.694   1.621  -0.335  1.00  0.00           C  
HETATM   34  C   UNL     1       9.032   2.213  -0.084  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.141  -1.567   2.460  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.928   2.099  -0.124  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.867  -0.539   1.361  1.00  0.00           C  
HETATM   38  N   UNL     1      11.362   2.167  -0.418  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.112  -0.999   0.487  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.513  -0.004   1.519  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.656   1.560   0.375  1.00  0.00           N  
HETATM   42  C   UNL     1       3.036  -3.966  -0.306  1.00  0.00           C  
HETATM   43  C   UNL     1       2.868  -5.384   0.245  1.00  0.00           C  
HETATM   44  C   UNL     1       3.793  -6.339  -0.513  1.00  0.00           C  
HETATM   45  N   UNL     1       3.631  -7.699   0.016  1.00  0.00           N  
HETATM   46  H   UNL     1       3.676  -0.696   0.901  1.00  0.00           H  
HETATM   47  H   UNL     1       1.945  -1.689  -1.240  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.648  -3.031   2.936  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.290  -1.484   2.332  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.530  -2.633   1.205  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.807  -1.880  -4.522  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.123  -1.262  -3.959  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.935  -0.485  -3.738  1.00  0.00           H  
HETATM   54  H   UNL     1      10.575   4.752   1.520  1.00  0.00           H  
HETATM   55  H   UNL     1      12.511   3.642   0.484  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.567   0.750  -2.610  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.380   1.533  -2.398  1.00  0.00           H  
HETATM   58  H   UNL     1       8.300   3.822   1.158  1.00  0.00           H  
HETATM   59  H   UNL     1       6.227  -0.938  -1.985  1.00  0.00           H  
HETATM   60  H   UNL     1       4.434   2.090   0.425  1.00  0.00           H  
HETATM   61  H   UNL     1       8.449   0.034  -1.571  1.00  0.00           H  
HETATM   62  H   UNL     1       6.647   3.079   0.845  1.00  0.00           H  
HETATM   63  H   UNL     1      10.086   0.760  -1.257  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.016   0.882   0.699  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.827  -0.040   2.210  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.696   4.757   0.925  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.022   3.675  -0.318  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.849   1.649   2.858  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.228  -2.218   2.593  1.00  0.00           H  
HETATM   70  H   UNL     1       2.424  -2.955   1.495  1.00  0.00           H  
HETATM   71  H   UNL     1       1.087  -3.379   0.399  1.00  0.00           H  
HETATM   72  H   UNL     1       3.834  -0.565  -2.037  1.00  0.00           H  
HETATM   73  H   UNL     1       3.086   0.700  -1.032  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.941   3.192  -1.696  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.690   2.970  -1.941  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.892   0.198   1.391  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.148  -1.069   3.430  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.705   1.341  -0.032  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.958  -1.017   0.386  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.426  -1.799   0.037  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.372   0.823   2.006  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.124   1.139  -0.371  1.00  0.00           H  
HETATM   83  H   UNL     1       2.780  -3.956  -1.365  1.00  0.00           H  
HETATM   84  H   UNL     1       4.071  -3.648  -0.180  1.00  0.00           H  
HETATM   85  H   UNL     1       3.125  -5.394   1.304  1.00  0.00           H  
HETATM   86  H   UNL     1       1.834  -5.702   0.119  1.00  0.00           H  
HETATM   87  H   UNL     1       3.536  -6.328  -1.572  1.00  0.00           H  
HETATM   88  H   UNL     1       4.827  -6.020  -0.387  1.00  0.00           H  
HETATM   89  H   UNL     1       4.232  -8.349  -0.469  1.00  0.00           H  
HETATM   90  H   UNL     1       3.801  -7.723   1.010  1.00  0.00           H  
CONECT    1    2   26   46                                            
CONECT    2   25   18    1   47                                       
CONECT    3   35   48   49   50                                       
CONECT    4    5    6    6   51                                       
CONECT    5    9    9    4   52                                       
CONECT    6    4    4   10   53                                       
CONECT    7    8    8   11   54                                       
CONECT    8   38    7    7   55                                       
CONECT    9    5    5   32   56                                       
CONECT   10   32   32    6   57                                       
CONECT   11   34   34    7   58                                       
CONECT   12   14   14   31   59                                       
CONECT   13   31   31   15   60                                       
CONECT   14   12   12   33   61                                       
CONECT   15   33   33   13   62                                       
CONECT   16   38   38   34   63                                       
CONECT   17   39   29   64   65                                       
CONECT   18   39    2   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   28   66   67                                            
CONECT   21   28   28                                                 
CONECT   22   29   29                                                 
CONECT   23   30   68                                                 
CONECT   24   35   69                                                 
CONECT   25   42    2   70   71                                       
CONECT   26    1   31   72   73                                       
CONECT   27   36   32   74   75                                       
CONECT   28   20   21   21   36                                       
CONECT   29   22   22   17   40                                       
CONECT   30   41   37   23   76                                       
CONECT   31   12   26   13   13                                       
CONECT   32    9   27   10   10                                       
CONECT   33   14   34   15   15                                       
CONECT   34   16   33   11   11                                       
CONECT   35   37   24    3   77                                       
CONECT   36   28   41   27   78                                       
CONECT   37   40   30   35   79                                       
CONECT   38   16   16    8                                            
CONECT   39   17   18   80                                            
CONECT   40   29   37   81                                            
CONECT   41   36   30   82                                            
CONECT   42   43   25   83   84                                       
CONECT   43   44   42   85   86                                       
CONECT   44   45   43   87   88                                       
CONECT   45   44   89   90                                            
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   30                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
