COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.598   1.988  -0.490  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.357   3.037  -0.244  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.897   4.093   0.398  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.589   4.144   0.843  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.752   3.066   0.609  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.268   1.962  -0.074  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.415   0.781  -0.352  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.178   0.711   0.135  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.899  -0.278  -1.124  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.067  -1.359  -1.357  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.846  -1.358  -0.845  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.415  -0.342  -0.111  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.133  -0.383   0.411  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.350  -1.531   0.252  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.975  -1.418   0.106  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.948  -2.785   0.247  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.175  -3.919   0.091  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.806  -3.811  -0.060  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.201  -2.560  -0.050  1.00  0.00           C  
HETATM   20  N   UNL     1       0.185  -2.451  -0.203  1.00  0.00           N  
HETATM   21  C   UNL     1       0.863  -1.496   0.464  1.00  0.00           C  
HETATM   22  O   UNL     1       0.262  -0.676   1.130  1.00  0.00           O  
HETATM   23  C   UNL     1       2.336  -1.446   0.385  1.00  0.00           C  
HETATM   24  C   UNL     1       3.041  -0.457   1.075  1.00  0.00           C  
HETATM   25  C   UNL     1       4.415  -0.413   1.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.029  -2.392  -0.376  1.00  0.00           C  
HETATM   27  C   UNL     1       4.403  -2.343  -0.447  1.00  0.00           C  
HETATM   28  C   UNL     1       5.102  -1.353   0.238  1.00  0.00           C  
HETATM   29  N   UNL     1       6.493  -1.306   0.164  1.00  0.00           N  
HETATM   30  C   UNL     1       7.127  -0.117   0.139  1.00  0.00           C  
HETATM   31  O   UNL     1       6.495   0.910   0.267  1.00  0.00           O  
HETATM   32  C   UNL     1       8.622  -0.063  -0.046  1.00  0.00           C  
HETATM   33  C   UNL     1       9.085   1.395  -0.036  1.00  0.00           C  
HETATM   34  C   UNL     1      10.602   1.449  -0.225  1.00  0.00           C  
HETATM   35  N   UNL     1      11.047   2.849  -0.215  1.00  0.00           N  
HETATM   36  C   UNL     1      12.512   2.936  -0.155  1.00  0.00           C  
HETATM   37  C   UNL     1      10.524   3.576  -1.380  1.00  0.00           C  
HETATM   38  H   UNL     1     -10.012   1.140  -1.015  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.552   4.932   0.579  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.224   5.015   1.368  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.726   3.079   0.946  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.900  -0.254  -1.530  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.410  -2.194  -1.949  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.778   0.385   0.886  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.507  -0.445   0.114  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.018  -2.873   0.365  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.642  -4.893   0.088  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.204  -4.700  -0.181  1.00  0.00           H  
HETATM   49  H   UNL     1       0.658  -3.063  -0.789  1.00  0.00           H  
HETATM   50  H   UNL     1       2.509   0.273   1.667  1.00  0.00           H  
HETATM   51  H   UNL     1       4.960   0.352   1.533  1.00  0.00           H  
HETATM   52  H   UNL     1       2.487  -3.161  -0.907  1.00  0.00           H  
HETATM   53  H   UNL     1       4.939  -3.073  -1.034  1.00  0.00           H  
HETATM   54  H   UNL     1       7.005  -2.129   0.130  1.00  0.00           H  
HETATM   55  H   UNL     1       9.108  -0.604   0.766  1.00  0.00           H  
HETATM   56  H   UNL     1       8.886  -0.522  -0.999  1.00  0.00           H  
HETATM   57  H   UNL     1       8.598   1.936  -0.848  1.00  0.00           H  
HETATM   58  H   UNL     1      11.089   0.908   0.587  1.00  0.00           H  
HETATM   59  H   UNL     1      10.867   0.990  -1.177  1.00  0.00           H  
HETATM   60  H   UNL     1      12.941   2.438  -1.025  1.00  0.00           H  
HETATM   61  H   UNL     1      12.814   3.983  -0.150  1.00  0.00           H  
HETATM   62  H   UNL     1      12.868   2.450   0.753  1.00  0.00           H  
HETATM   63  H   UNL     1       9.434   3.555  -1.362  1.00  0.00           H  
HETATM   64  H   UNL     1      10.868   4.609  -1.349  1.00  0.00           H  
HETATM   65  H   UNL     1      10.881   3.101  -2.294  1.00  0.00           H  
HETATM   66  H   UNL     1       8.820   1.854   0.916  1.00  0.00           H  
CONECT    1    2    2    6   38                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5   40                                       
CONECT    5    6    6    4   41                                       
CONECT    6    1    7    5    5                                       
CONECT    7    8    6    9    9                                       
CONECT    8   12   12    7                                            
CONECT    9    7    7   10   42                                       
CONECT   10   11   11    9   43                                       
CONECT   11   12   10   10                                            
CONECT   12   13    8    8   11                                       
CONECT   13   14   12   44                                            
CONECT   14   16   13   15   15                                       
CONECT   15   19   14   14   45                                       
CONECT   16   17   17   14   46                                       
CONECT   17   16   16   18   47                                       
CONECT   18   17   19   19   48                                       
CONECT   19   18   18   15   20                                       
CONECT   20   21   19   49                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   26   21   24   24                                       
CONECT   24   23   23   25   50                                       
CONECT   25   28   28   24   51                                       
CONECT   26   27   27   23   52                                       
CONECT   27   26   26   28   53                                       
CONECT   28   27   29   25   25                                       
CONECT   29   28   30   54                                            
CONECT   30   31   31   29   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   55   56                                       
CONECT   33   32   34   57   66                                       
CONECT   34   33   35   58   59                                       
CONECT   35   34   37   36                                            
CONECT   36   35   60   61   62                                       
CONECT   37   35   63   64   65                                       
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   33                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
