COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.069  -2.533   0.519  1.00  0.00           O  
HETATM    2  C   UNL     1       1.017  -1.427   0.036  1.00  0.00           C  
HETATM    3  O   UNL     1       2.142  -0.714  -0.133  1.00  0.00           O  
HETATM    4  C   UNL     1       3.385  -1.335   0.287  1.00  0.00           C  
HETATM    5  C   UNL     1       4.549  -0.379   0.019  1.00  0.00           C  
HETATM    6  C   UNL     1       5.870  -1.079   0.345  1.00  0.00           C  
HETATM    7  O   UNL     1       6.961  -0.230  -0.015  1.00  0.00           O  
HETATM    8  P   UNL     1       8.502  -0.648   0.189  1.00  0.00           P  
HETATM    9  O   UNL     1       8.757  -1.939  -0.487  1.00  0.00           O  
HETATM   10  O   UNL     1       9.454   0.486  -0.443  1.00  0.00           O  
HETATM   11  C   UNL     1      10.876   0.359  -0.514  1.00  0.00           C  
HETATM   12  C   UNL     1      11.468   1.608  -1.168  1.00  0.00           C  
HETATM   13  N   UNL     1      11.286   2.761  -0.276  1.00  0.00           N1+
HETATM   14  C   UNL     1      11.830   3.966  -0.916  1.00  0.00           C  
HETATM   15  C   UNL     1       9.855   2.952  -0.008  1.00  0.00           C  
HETATM   16  C   UNL     1      11.993   2.517   0.989  1.00  0.00           C  
HETATM   17  O   UNL     1       8.814  -0.795   1.762  1.00  0.00           O  
HETATM   18  O   UNL     1       4.411   0.783   0.839  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.311  -0.850  -0.382  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.421  -1.861  -0.090  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.769  -1.275  -0.515  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.880  -2.286  -0.222  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.228  -1.700  -0.647  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.338  -2.711  -0.354  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.686  -2.125  -0.779  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.780  -3.120  -0.490  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.829  -2.758   0.206  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.038  -1.306   0.553  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.434  -0.871   0.104  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.646   0.603   0.456  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.042   1.039   0.007  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.255   2.513   0.359  1.00  0.00           C  
HETATM   33  C   UNL     1     -14.651   2.948  -0.091  1.00  0.00           C  
HETATM   34  C   UNL     1     -14.863   4.422   0.262  1.00  0.00           C  
HETATM   35  C   UNL     1     -16.259   4.858  -0.188  1.00  0.00           C  
HETATM   36  H   UNL     1       3.337  -1.559   1.353  1.00  0.00           H  
HETATM   37  H   UNL     1       3.537  -2.259  -0.271  1.00  0.00           H  
HETATM   38  H   UNL     1       4.543  -0.086  -1.031  1.00  0.00           H  
HETATM   39  H   UNL     1       5.913  -1.294   1.413  1.00  0.00           H  
HETATM   40  H   UNL     1       5.935  -2.012  -0.216  1.00  0.00           H  
HETATM   41  H   UNL     1      11.281   0.248   0.492  1.00  0.00           H  
HETATM   42  H   UNL     1      11.132  -0.519  -1.107  1.00  0.00           H  
HETATM   43  H   UNL     1      12.532   1.454  -1.350  1.00  0.00           H  
HETATM   44  H   UNL     1      10.962   1.798  -2.114  1.00  0.00           H  
HETATM   45  H   UNL     1      11.306   4.147  -1.854  1.00  0.00           H  
HETATM   46  H   UNL     1      11.695   4.821  -0.254  1.00  0.00           H  
HETATM   47  H   UNL     1      12.892   3.824  -1.114  1.00  0.00           H  
HETATM   48  H   UNL     1       9.491   2.140   0.622  1.00  0.00           H  
HETATM   49  H   UNL     1       9.704   3.903   0.503  1.00  0.00           H  
HETATM   50  H   UNL     1       9.306   2.955  -0.950  1.00  0.00           H  
HETATM   51  H   UNL     1      13.055   2.375   0.791  1.00  0.00           H  
HETATM   52  H   UNL     1      11.858   3.373   1.651  1.00  0.00           H  
HETATM   53  H   UNL     1      11.589   1.623   1.464  1.00  0.00           H  
HETATM   54  H   UNL     1       8.668   0.015   2.269  1.00  0.00           H  
HETATM   55  H   UNL     1       4.408   0.596   1.788  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.499   0.068   0.174  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.291  -0.631  -1.450  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.233  -2.779  -0.646  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.441  -2.080   0.978  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.958  -0.356   0.041  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.750  -1.055  -1.582  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.691  -3.204  -0.778  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.899  -2.505   0.846  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.417  -0.781  -0.091  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.208  -1.480  -1.714  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.150  -3.629  -0.910  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.358  -2.930   0.714  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.875  -1.206  -0.223  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.667  -1.905  -1.846  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.700  -4.133  -0.858  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.543  -3.499   0.532  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.945  -1.173   1.631  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.287  -0.700   0.046  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.527  -1.003  -0.974  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.185  -1.477   0.610  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.554   0.736   1.534  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.896   1.210  -0.051  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.135   0.906  -1.071  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.793   0.433   0.513  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.162   2.645   1.437  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.504   3.119  -0.148  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.743   2.816  -1.168  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.401   2.342   0.416  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.771   4.555   1.340  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.113   5.029  -0.245  1.00  0.00           H  
HETATM   86  H   UNL     1     -16.352   4.725  -1.266  1.00  0.00           H  
HETATM   87  H   UNL     1     -17.010   4.251   0.319  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.410   5.908   0.063  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   19                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   36   37                                       
CONECT    5    4   18    6   38                                       
CONECT    6    5    7   39   40                                       
CONECT    7    6    8                                                 
CONECT    8    9    9    7   10                                       
CONECT    8   17                                                      
CONECT    9    8    8                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   41   42                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   15   14   16                                       
CONECT   14   13   45   46   47                                       
CONECT   15   13   48   49   50                                       
CONECT   16   13   51   52   53                                       
CONECT   17    8   54                                                 
CONECT   18    5   55                                                 
CONECT   19   20    2   56   57                                       
CONECT   20   21   19   58   59                                       
CONECT   21   22   20   60   61                                       
CONECT   22   23   21   62   63                                       
CONECT   23   24   22   64   65                                       
CONECT   24   25   23   66   67                                       
CONECT   25   26   24   68   69                                       
CONECT   26   27   27   25   70                                       
CONECT   27   28   26   26   71                                       
CONECT   28   29   27   72   73                                       
CONECT   29   28   30   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   86   87   88                                       
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
