COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.588   0.287  -3.111  1.00  0.00           C  
HETATM    2  B   UNL     1      -1.566   1.444  -3.523  1.00  0.00           B  
HETATM    3  C   UNL     1      -0.291  -0.588  -4.330  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   0.263  -5.423  1.00  0.00           C  
HETATM    5  C   UNL     1       0.655  -0.612  -6.642  1.00  0.00           C  
HETATM    6  C   UNL     1       1.634  -0.371  -8.886  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.663  -1.051   0.309  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.024  -0.213  -0.767  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.199  -1.007   0.167  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.686  -0.966   1.639  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.582  -0.109   2.308  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.093  -0.404   2.154  1.00  0.00           C  
HETATM   13  C   UNL     1       0.044  -0.950   4.569  1.00  0.00           C  
HETATM   14  C   UNL     1       0.100   0.173   3.532  1.00  0.00           C  
HETATM   15  C   UNL     1       2.531   0.138   3.384  1.00  0.00           C  
HETATM   16  C   UNL     1       3.871   0.824   3.457  1.00  0.00           C  
HETATM   17  C   UNL     1       1.687   0.270   7.742  1.00  0.00           C  
HETATM   18  C   UNL     1       0.592   0.688   8.476  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.678   0.576   7.946  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.856   0.045   6.682  1.00  0.00           C  
HETATM   21  C   UNL     1       0.238  -0.371   5.947  1.00  0.00           C  
HETATM   22  C   UNL     1       1.509  -0.264   6.480  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.209  -0.527  -2.064  1.00  0.00           N  
HETATM   24  N   UNL     1       1.276   0.202  -7.689  1.00  0.00           N  
HETATM   25  N   UNL     1       2.217   0.393  -9.868  1.00  0.00           N  
HETATM   26  N   UNL     1       1.421  -1.641  -9.089  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.333  -0.514   1.637  1.00  0.00           N  
HETATM   28  N   UNL     1       1.402   0.840   3.604  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.850   1.135  -4.045  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.167   2.798  -3.374  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.343   0.744  -0.466  1.00  0.00           O  
HETATM   32  O   UNL     1       0.866  -0.771   1.510  1.00  0.00           O  
HETATM   33  O   UNL     1       2.469  -1.045   3.127  1.00  0.00           O  
HETATM   34  H   UNL     1       0.341   0.714  -2.735  1.00  0.00           H  
HETATM   35  H   UNL     1       0.388  -1.391  -4.044  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.220  -1.015  -4.706  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.321   1.066  -5.710  1.00  0.00           H  
HETATM   38  H   UNL     1       1.287   0.690  -5.047  1.00  0.00           H  
HETATM   39  H   UNL     1       1.334  -1.415  -6.356  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.274  -1.039  -7.018  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.313  -2.081   0.234  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.568  -1.902  -0.335  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.508  -0.109  -0.366  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.718  -1.967   2.069  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.658  -0.478   1.715  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.528  -0.326   3.374  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.774   0.951   2.144  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.924  -1.446   4.516  1.00  0.00           H  
HETATM   49  H   UNL     1       0.834  -1.672   4.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.689   0.896   3.737  1.00  0.00           H  
HETATM   51  H   UNL     1       4.661   0.101   3.253  1.00  0.00           H  
HETATM   52  H   UNL     1       3.911   1.624   2.719  1.00  0.00           H  
HETATM   53  H   UNL     1       4.011   1.242   4.454  1.00  0.00           H  
HETATM   54  H   UNL     1       2.680   0.358   8.156  1.00  0.00           H  
HETATM   55  H   UNL     1       0.731   1.103   9.463  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.533   0.903   8.519  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.849  -0.041   6.267  1.00  0.00           H  
HETATM   58  H   UNL     1       2.364  -0.591   5.906  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.754  -1.293  -2.305  1.00  0.00           H  
HETATM   60  H   UNL     1       1.434   1.147  -7.538  1.00  0.00           H  
HETATM   61  H   UNL     1       2.470  -0.012 -10.712  1.00  0.00           H  
HETATM   62  H   UNL     1       2.376   1.337  -9.717  1.00  0.00           H  
HETATM   63  H   UNL     1       1.674  -2.047  -9.933  1.00  0.00           H  
HETATM   64  H   UNL     1       1.452   1.787   3.810  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.285   1.978  -4.232  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.272   2.787  -3.008  1.00  0.00           H  
CONECT    1    2    3   23   34                                       
CONECT    2    1   29   30                                            
CONECT    3    1    4   35   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4   24   39   40                                       
CONECT    6   24   25   26   26                                       
CONECT    7    8    9   27   41                                       
CONECT    8    7   23   31   31                                       
CONECT    9    7   10   42   43                                       
CONECT   10    9   11   44   45                                       
CONECT   11   10   27   46   47                                       
CONECT   12   14   27   32   32                                       
CONECT   13   14   21   48   49                                       
CONECT   14   12   13   28   50                                       
CONECT   15   16   28   33   33                                       
CONECT   16   15   51   52   53                                       
CONECT   17   18   18   22   54                                       
CONECT   18   17   17   19   55                                       
CONECT   19   18   20   20   56                                       
CONECT   20   19   19   21   57                                       
CONECT   21   13   20   22   22                                       
CONECT   22   17   21   21   58                                       
CONECT   23    1    8   59                                            
CONECT   24    5    6   60                                            
CONECT   25    6   61   62                                            
CONECT   26    6    6   63                                            
CONECT   27    7   11   12                                            
CONECT   28   14   15   64                                            
CONECT   29    2   65                                                 
CONECT   30    2   66                                                 
CONECT   31    8    8                                                 
CONECT   32   12   12                                                 
CONECT   33   15   15                                                 
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
