COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      -1.697  -5.868  -6.609  1.00  0.00           N  
HETATM    2  C   UNK A   0      -0.448  -5.259  -6.849  1.00  0.00           C  
HETATM    3  N   UNK A   0       0.328  -4.831  -5.879  1.00  0.00           N  
HETATM    4  C   UNK A   0      -0.189  -5.032  -4.643  1.00  0.00           C  
HETATM    5  C   UNK A   0      -1.391  -5.612  -4.295  1.00  0.00           C  
HETATM    6  C   UNK A   0      -2.257  -6.088  -5.345  1.00  0.00           C  
HETATM    7  N   UNK A   0       0.446  -4.665  -3.488  1.00  0.00           N  
HETATM    8  C   UNK A   0      -0.338  -5.005  -2.412  1.00  0.00           C  
HETATM    9  C   UNK A   0      -1.465  -5.586  -2.906  1.00  0.00           C  
HETATM   10  C   UNK A   0      -2.602  -6.114  -2.066  1.00  0.00           C  
HETATM   11  C   UNK A   0      -2.430  -7.594  -1.672  1.00  0.00           C  
HETATM   12  C   UNK A   0      -3.554  -8.141  -0.859  1.00  0.00           C  
HETATM   13  C   UNK A   0      -3.511  -8.062   0.533  1.00  0.00           C  
HETATM   14  C   UNK A   0      -4.562  -8.574   1.294  1.00  0.00           C  
HETATM   15  C   UNK A   0      -5.633  -9.153   0.646  1.00  0.00           C  
HETATM   16  C   UNK A   0      -5.700  -9.244  -0.729  1.00  0.00           C  
HETATM   17  C   UNK A   0      -4.649  -8.733  -1.490  1.00  0.00           C  
HETATM   18  C   UNK A   0      -6.752  -9.699   1.456  1.00  0.00           C  
HETATM   19  O   UNK A   0      -3.344  -6.618  -5.145  1.00  0.00           O  
HETATM   20  N   UNK A   0      -0.095  -5.143  -8.168  1.00  0.00           N  
HETATM   21  C   UNK A   1      -9.180 -10.208   1.500  1.00  0.00           C  
HETATM   22  C   UNK A   1     -10.457  -9.571   0.945  1.00  0.00           C  
HETATM   23  C   UNK A   1     -10.512  -8.054   1.134  1.00  0.00           C  
HETATM   24  C   UNK A   1     -11.794  -7.423   0.618  1.00  0.00           C  
HETATM   25  C   UNK A   1      -9.212 -11.710   1.298  1.00  0.00           C  
HETATM   26  O   UNK A   1     -12.692  -8.064   0.078  1.00  0.00           O  
HETATM   27  O   UNK A   1      -8.843 -12.294   0.288  1.00  0.00           O  
HETATM   28  O   UNK A   1      -9.753 -12.353   2.366  1.00  0.00           O  
HETATM   29  N   UNK A   1      -7.994  -9.730   0.837  1.00  0.00           N  
HETATM   30  O   UNK A   0      -6.535 -10.068   2.608  1.00  0.00           O  
HETATM   31  C   UNK A   1     -13.912  -2.232   5.875  1.00  0.00           C  
HETATM   32  C   UNK A   1     -14.808  -2.694   7.028  1.00  0.00           C  
HETATM   33  C   UNK A   1     -16.236  -3.026   6.592  1.00  0.00           C  
HETATM   34  C   UNK A   1     -16.957  -1.862   5.931  1.00  0.00           C  
HETATM   35  C   UNK A   1     -12.525  -1.900   6.389  1.00  0.00           C  
HETATM   36  O   UNK A   1     -16.451  -0.753   5.782  1.00  0.00           O  
HETATM   37  N   UNK A   1     -18.246  -2.208   5.553  1.00  0.00           N  
HETATM   38  O   UNK A   1     -12.413  -0.590   6.732  1.00  0.00           O  
HETATM   39  O   UNK A   1     -11.613  -2.704   6.531  1.00  0.00           O  
HETATM   40  C   UNK A   1     -12.893  -5.207   0.383  1.00  0.00           C  
HETATM   41  C   UNK A   1     -13.016  -3.936   1.228  1.00  0.00           C  
HETATM   42  C   UNK A   1     -13.314  -4.213   2.702  1.00  0.00           C  
HETATM   43  C   UNK A   1     -13.474  -2.953   3.538  1.00  0.00           C  
HETATM   44  C   UNK A   1     -12.623  -4.850  -1.066  1.00  0.00           C  
HETATM   45  O   UNK A   1     -13.352  -1.820   3.080  1.00  0.00           O  
HETATM   46  N   UNK A   1     -13.743  -3.252   4.866  1.00  0.00           N  
HETATM   47  O   UNK A   1     -11.517  -4.644  -1.548  1.00  0.00           O  
HETATM   48  O   UNK A   1     -13.773  -4.730  -1.781  1.00  0.00           O  
HETATM   49  N   UNK A   1     -11.800  -6.049   0.809  1.00  0.00           N  
HETATM   50  O   UNK A   1     -21.569   0.667   8.011  1.00  0.00           O  
HETATM   51  O   UNK A   1     -22.244  -1.338   8.840  1.00  0.00           O  
HETATM   52  O   UNK A   1     -19.773  -3.377   3.988  1.00  0.00           O  
HETATM   53  O   UNK A   1     -20.836  -1.544   3.180  1.00  0.00           O  
HETATM   54  C   UNK A   1     -19.152  -1.273   4.927  1.00  0.00           C  
HETATM   55  C   UNK A   1     -19.994  -0.504   5.958  1.00  0.00           C  
HETATM   56  C   UNK A   1     -20.841  -1.355   6.909  1.00  0.00           C  
HETATM   57  C   UNK A   1     -21.570  -0.556   7.960  1.00  0.00           C  
HETATM   58  C   UNK A   1     -20.013  -2.040   3.940  1.00  0.00           C  
HETATM   59  H   UNK A   0      -2.234  -6.170  -7.417  1.00  0.00           H  
HETATM   60  H   UNK A   0       1.350  -4.215  -3.434  1.00  0.00           H  
HETATM   61  H   UNK A   0      -0.003  -4.794  -1.406  1.00  0.00           H  
HETATM   62  H   UNK A   0      -2.674  -5.498  -1.160  1.00  0.00           H  
HETATM   63  H   UNK A   0      -3.553  -5.972  -2.596  1.00  0.00           H  
HETATM   64  H   UNK A   0      -1.491  -7.692  -1.102  1.00  0.00           H  
HETATM   65  H   UNK A   0      -2.273  -8.202  -2.580  1.00  0.00           H  
HETATM   66  H   UNK A   0      -2.662  -7.603   1.032  1.00  0.00           H  
HETATM   67  H   UNK A   0      -4.518  -8.505   2.377  1.00  0.00           H  
HETATM   68  H   UNK A   0      -6.548  -9.702  -1.232  1.00  0.00           H  
HETATM   69  H   UNK A   0      -4.692  -8.799  -2.574  1.00  0.00           H  
HETATM   70  H   UNK A   0      -0.744  -5.446  -8.857  1.00  0.00           H  
HETATM   71  H   UNK A   0       0.796  -4.761  -8.386  1.00  0.00           H  
HETATM   72  H   UNK A   1      -9.039  -9.991   2.564  1.00  0.00           H  
HETATM   73  H   UNK A   1     -10.534  -9.789  -0.129  1.00  0.00           H  
HETATM   74  H   UNK A   1     -11.336 -10.032   1.414  1.00  0.00           H  
HETATM   75  H   UNK A   1     -10.376  -7.790   2.189  1.00  0.00           H  
HETATM   76  H   UNK A   1      -9.685  -7.600   0.574  1.00  0.00           H  
HETATM   77  H   UNK A   1      -9.830 -13.327   2.272  1.00  0.00           H  
HETATM   78  H   UNK A   1      -8.105  -9.348  -0.099  1.00  0.00           H  
HETATM   79  H   UNK A   1     -14.322  -1.360   5.357  1.00  0.00           H  
HETATM   80  H   UNK A   1     -14.371  -3.589   7.491  1.00  0.00           H  
HETATM   81  H   UNK A   1     -14.831  -1.926   7.811  1.00  0.00           H  
HETATM   82  H   UNK A   1     -16.245  -3.889   5.917  1.00  0.00           H  
HETATM   83  H   UNK A   1     -16.820  -3.300   7.479  1.00  0.00           H  
HETATM   84  H   UNK A   1     -18.566  -3.157   5.723  1.00  0.00           H  
HETATM   85  H   UNK A   1     -11.544  -0.328   7.105  1.00  0.00           H  
HETATM   86  H   UNK A   1     -13.793  -5.828   0.438  1.00  0.00           H  
HETATM   87  H   UNK A   1     -12.079  -3.366   1.165  1.00  0.00           H  
HETATM   88  H   UNK A   1     -13.796  -3.286   0.810  1.00  0.00           H  
HETATM   89  H   UNK A   1     -14.211  -4.834   2.806  1.00  0.00           H  
HETATM   90  H   UNK A   1     -12.476  -4.775   3.132  1.00  0.00           H  
HETATM   91  H   UNK A   1     -13.824  -4.226   5.140  1.00  0.00           H  
HETATM   92  H   UNK A   1     -13.657  -4.465  -2.718  1.00  0.00           H  
HETATM   93  H   UNK A   1     -11.003  -5.617   1.269  1.00  0.00           H  
HETATM   94  H   UNK A   1     -22.739  -0.853   9.534  1.00  0.00           H  
HETATM   95  H   UNK A   1     -20.306  -3.921   3.369  1.00  0.00           H  
HETATM   96  H   UNK A   1     -18.541  -0.562   4.357  1.00  0.00           H  
HETATM   97  H   UNK A   1     -20.636   0.212   5.429  1.00  0.00           H  
HETATM   98  H   UNK A   1     -19.316   0.099   6.576  1.00  0.00           H  
HETATM   99  H   UNK A   1     -21.573  -1.956   6.360  1.00  0.00           H  
HETATM  100  H   UNK A   1     -20.199  -2.074   7.433  1.00  0.00           H  
CONECT    1    2    6   59                                            
CONECT    2    1    3    3   20                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6    9                                       
CONECT    6    1    5   19   19                                       
CONECT    7    4    8   60                                            
CONECT    8    7    9    9   61                                       
CONECT    9    5    8    8   10                                       
CONECT   10    9   11   62   63                                       
CONECT   11   10   12   64   65                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   66                                       
CONECT   14   13   15   15   67                                       
CONECT   15   14   14   16   18                                       
CONECT   16   15   17   17   68                                       
CONECT   17   12   16   16   69                                       
CONECT   18   15   29   30   30                                       
CONECT   19    6    6                                                 
CONECT   20    2   70   71                                            
CONECT   21   22   25   29   72                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   24   75   76                                       
CONECT   24   23   26   26   49                                       
CONECT   25   21   27   27   28                                       
CONECT   26   24   24                                                 
CONECT   27   25   25                                                 
CONECT   28   25   77                                                 
CONECT   29   18   21   78                                            
CONECT   30   18   18                                                 
CONECT   31   32   35   46   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   36   36   37                                       
CONECT   35   31   38   39   39                                       
CONECT   36   34   34                                                 
CONECT   37   34   54   84                                            
CONECT   38   35   85                                                 
CONECT   39   35   35                                                 
CONECT   40   41   44   49   86                                       
CONECT   41   40   42   87   88                                       
CONECT   42   41   43   89   90                                       
CONECT   43   42   45   45   46                                       
CONECT   44   40   47   47   48                                       
CONECT   45   43   43                                                 
CONECT   46   31   43   91                                            
CONECT   47   44   44                                                 
CONECT   48   44   92                                                 
CONECT   49   24   40   93                                            
CONECT   50   57   57                                                 
CONECT   51   57   94                                                 
CONECT   52   58   95                                                 
CONECT   53   58   58                                                 
CONECT   54   37   55   58   96                                       
CONECT   55   54   56   97   98                                       
CONECT   56   55   57   99  100                                       
CONECT   57   50   50   51   56                                       
CONECT   58   52   53   53   54                                       
CONECT   59    1                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   46                                                      
CONECT   92   48                                                      
CONECT   93   49                                                      
CONECT   94   51                                                      
CONECT   95   52                                                      
CONECT   96   54                                                      
CONECT   97   55                                                      
CONECT   98   55                                                      
CONECT   99   56                                                      
CONECT  100   56                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
