COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.441  -4.331  -1.743  1.00  0.00           O  
HETATM    2  O   UNL     1       2.669  -2.415  -0.115  1.00  0.00           O  
HETATM    3  C   UNL     1       4.189  -4.242  -0.307  1.00  0.00           C  
HETATM    4  C   UNL     1       3.942  -2.883  -0.167  1.00  0.00           C  
HETATM    5  C   UNL     1       5.031  -2.002  -0.081  1.00  0.00           C  
HETATM    6  C   UNL     1       6.322  -2.541  -0.140  1.00  0.00           C  
HETATM    7  C   UNL     1       6.472  -3.905  -0.280  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.925  -4.203  -0.636  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.161  -5.295   0.115  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.697  -5.171   1.346  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.911  -6.159   2.026  1.00  0.00           O  
HETATM   12  C   UNL     1      -8.010  -3.882   1.841  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.763  -2.804   1.067  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.213  -2.972  -0.175  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.940  -1.802  -1.013  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.251  -1.050  -1.330  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.736  -1.412  -2.625  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.846   0.441  -1.301  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.067   1.045  -2.577  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.131  -0.846  -0.293  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.337   0.413  -0.970  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.972   1.579  -0.049  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.557   1.603   0.151  1.00  0.00           O  
HETATM   24  P   UNL     1      -3.820   2.702   1.069  1.00  0.00           P  
HETATM   25  O   UNL     1      -4.282   2.518   2.601  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.185   4.058   0.604  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.226   2.508   0.962  1.00  0.00           O  
HETATM   28  P   UNL     1      -0.959   3.419   1.358  1.00  0.00           P  
HETATM   29  O   UNL     1      -1.241   4.831   1.015  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.683   3.296   2.940  1.00  0.00           O  
HETATM   31  O   UNL     1       0.338   2.918   0.546  1.00  0.00           O  
HETATM   32  C   UNL     1       1.598   3.590   0.600  1.00  0.00           C  
HETATM   33  C   UNL     1       2.339   3.393  -0.724  1.00  0.00           C  
HETATM   34  N   UNL     1       1.513   3.892  -1.827  1.00  0.00           N  
HETATM   35  C   UNL     1       1.543   5.199  -2.153  1.00  0.00           C  
HETATM   36  C   UNL     1       0.694   5.713  -3.287  1.00  0.00           C  
HETATM   37  O   UNL     1       2.255   5.962  -1.535  1.00  0.00           O  
HETATM   38  C   UNL     1       2.617   1.900  -0.928  1.00  0.00           C  
HETATM   39  O   UNL     1       3.371   1.714  -2.127  1.00  0.00           O  
HETATM   40  C   UNL     1       3.414   1.373   0.269  1.00  0.00           C  
HETATM   41  C   UNL     1       2.632   1.648   1.555  1.00  0.00           C  
HETATM   42  C   UNL     1       3.449   1.178   2.760  1.00  0.00           C  
HETATM   43  O   UNL     1       2.380   3.050   1.668  1.00  0.00           O  
HETATM   44  N   UNL     1       3.622  -0.070   0.121  1.00  0.00           N  
HETATM   45  C   UNL     1       4.822  -0.548   0.068  1.00  0.00           C  
HETATM   46  C   UNL     1       3.032  -5.203  -0.401  1.00  0.00           C  
HETATM   47  N   UNL     1       5.422  -4.701  -0.363  1.00  0.00           N  
HETATM   48  C   UNL     1       7.530  -1.645  -0.053  1.00  0.00           C  
HETATM   49  O   UNL     1       8.717  -2.436  -0.138  1.00  0.00           O  
HETATM   50  P   UNL     1      10.197  -1.805  -0.078  1.00  0.00           P  
HETATM   51  O   UNL     1      10.433  -0.868  -1.367  1.00  0.00           O  
HETATM   52  O   UNL     1      10.340  -0.995   1.153  1.00  0.00           O  
HETATM   53  O   UNL     1      11.286  -2.990  -0.070  1.00  0.00           O  
HETATM   54  H   UNL     1       2.303  -2.369   0.778  1.00  0.00           H  
HETATM   55  H   UNL     1       7.464  -4.329  -0.327  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.944  -6.175  -0.231  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.440  -3.763   2.824  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.995  -1.812   1.427  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.441  -2.104  -1.934  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.003  -1.256  -0.568  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.524  -0.925  -2.900  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.397   0.972  -0.525  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.991   1.035  -2.862  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.747   0.452  -1.885  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.291   2.516  -0.505  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.473   1.454   0.911  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.074   1.649   2.972  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.491   2.396   3.236  1.00  0.00           H  
HETATM   69  H   UNL     1       1.435   4.654   0.771  1.00  0.00           H  
HETATM   70  H   UNL     1       3.282   3.940  -0.699  1.00  0.00           H  
HETATM   71  H   UNL     1       0.944   3.282  -2.321  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.357   5.520  -3.070  1.00  0.00           H  
HETATM   73  H   UNL     1       0.850   6.785  -3.402  1.00  0.00           H  
HETATM   74  H   UNL     1       0.973   5.204  -4.210  1.00  0.00           H  
HETATM   75  H   UNL     1       1.673   1.361  -1.003  1.00  0.00           H  
HETATM   76  H   UNL     1       3.583   0.790  -2.319  1.00  0.00           H  
HETATM   77  H   UNL     1       4.379   1.878   0.314  1.00  0.00           H  
HETATM   78  H   UNL     1       1.684   1.110   1.526  1.00  0.00           H  
HETATM   79  H   UNL     1       4.396   1.717   2.789  1.00  0.00           H  
HETATM   80  H   UNL     1       2.891   1.374   3.676  1.00  0.00           H  
HETATM   81  H   UNL     1       3.641   0.109   2.674  1.00  0.00           H  
HETATM   82  H   UNL     1       5.672   0.116   0.133  1.00  0.00           H  
HETATM   83  H   UNL     1       2.750  -5.330  -1.446  1.00  0.00           H  
HETATM   84  H   UNL     1       3.325  -6.167   0.016  1.00  0.00           H  
HETATM   85  H   UNL     1       2.185  -4.808   0.159  1.00  0.00           H  
HETATM   86  H   UNL     1       7.511  -0.929  -0.874  1.00  0.00           H  
HETATM   87  H   UNL     1       7.517  -1.109   0.896  1.00  0.00           H  
HETATM   88  H   UNL     1      10.355  -1.334  -2.211  1.00  0.00           H  
HETATM   89  H   UNL     1      12.202  -2.683  -0.035  1.00  0.00           H  
CONECT    1    8    8                                                 
CONECT    2    4   54                                                 
CONECT    3   46   47   47    4                                       
CONECT    4    3    2    5    5                                       
CONECT    5    4    4    6   45                                       
CONECT    6    7    7    5   48                                       
CONECT    7   47    6    6   55                                       
CONECT    8    1    1   14    9                                       
CONECT    9    8   10   56                                            
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   13   10   57                                       
CONECT   13   14   12   12   58                                       
CONECT   14   15    8   13                                            
CONECT   15   16   14   20   59                                       
CONECT   16   17   18   15   60                                       
CONECT   17   16   61                                                 
CONECT   18   19   16   21   62                                       
CONECT   19   18   63                                                 
CONECT   20   15   21                                                 
CONECT   21   18   20   22   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   24   22                                                 
CONECT   24   26   26   27   23                                       
CONECT   24   25                                                      
CONECT   25   24   67                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   31   29   29   27                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   68                                                 
CONECT   31   32   28                                                 
CONECT   32   43   33   31   69                                       
CONECT   33   38   32   34   70                                       
CONECT   34   33   35   71                                            
CONECT   35   37   37   34   36                                       
CONECT   36   35   72   73   74                                       
CONECT   37   35   35                                                 
CONECT   38   40   39   33   75                                       
CONECT   39   38   76                                                 
CONECT   40   44   41   38   77                                       
CONECT   41   42   40   43   78                                       
CONECT   42   41   79   80   81                                       
CONECT   43   41   32                                                 
CONECT   44   45   45   40                                            
CONECT   45    5   44   44   82                                       
CONECT   46    3   83   84   85                                       
CONECT   47    3    3    7                                            
CONECT   48    6   49   86   87                                       
CONECT   49   48   50                                                 
CONECT   50   49   52   52   53                                       
CONECT   50   51                                                      
CONECT   51   50   88                                                 
CONECT   52   50   50                                                 
CONECT   53   50   89                                                 
CONECT   54    2                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   25                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   48                                                      
CONECT   87   48                                                      
CONECT   88   51                                                      
CONECT   89   53                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
