COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.064   0.488  -1.688  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.719  -1.268   0.875  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.869  -2.340  -0.206  1.00  0.00           C  
HETATM    4  C   UNL     1       0.978   0.055   1.426  1.00  0.00           C  
HETATM    5  C   UNL     1       2.345   0.226   1.393  1.00  0.00           C  
HETATM    6  C   UNL     1       2.989   0.461   0.179  1.00  0.00           C  
HETATM    7  C   UNL     1       4.460   0.645   0.142  1.00  0.00           C  
HETATM    8  C   UNL     1       5.204   0.576   1.319  1.00  0.00           C  
HETATM    9  C   UNL     1       6.573   0.748   1.278  1.00  0.00           C  
HETATM   10  C   UNL     1       7.207   0.987   0.072  1.00  0.00           C  
HETATM   11  C   UNL     1       8.702   1.173   0.035  1.00  0.00           C  
HETATM   12  C   UNL     1       9.379  -0.184  -0.169  1.00  0.00           C  
HETATM   13  C   UNL     1       6.474   1.055  -1.099  1.00  0.00           C  
HETATM   14  C   UNL     1       5.105   0.880  -1.071  1.00  0.00           C  
HETATM   15  C   UNL     1       2.247   0.523  -0.999  1.00  0.00           C  
HETATM   16  C   UNL     1       0.880   0.353  -0.962  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.491   1.939  -0.625  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.957   0.893  -0.226  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.443   0.654  -0.299  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.310   1.769  -0.888  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.682   1.969  -0.298  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.860   2.870   0.648  1.00  0.00           N  
HETATM   23  C   UNL     1      -7.044   3.083   1.189  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.149   2.361   0.780  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.000   1.403  -0.213  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.741   1.208  -0.758  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.146  -0.056   0.284  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.572  -2.562  -0.859  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.349  -3.645   0.433  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.700  -3.413   1.113  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.499  -4.717  -0.648  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.858  -6.053   0.005  1.00  0.00           C  
HETATM   33  C   UNL     1       0.241   0.118   0.249  1.00  0.00           C  
HETATM   34  C   UNL     1      10.897   0.005  -0.208  1.00  0.00           C  
HETATM   35  H   UNL     1      -3.398   0.552  -2.548  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.895  -0.211  -1.787  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.697  -1.039   1.299  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.059  -1.635   1.661  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.597  -2.009  -0.947  1.00  0.00           H  
HETATM   40  H   UNL     1       0.479  -0.132   2.365  1.00  0.00           H  
HETATM   41  H   UNL     1       2.918   0.177   2.308  1.00  0.00           H  
HETATM   42  H   UNL     1       4.710   0.390   2.261  1.00  0.00           H  
HETATM   43  H   UNL     1       7.150   0.696   2.190  1.00  0.00           H  
HETATM   44  H   UNL     1       8.965   1.837  -0.788  1.00  0.00           H  
HETATM   45  H   UNL     1       9.038   1.609   0.975  1.00  0.00           H  
HETATM   46  H   UNL     1       9.117  -0.849   0.654  1.00  0.00           H  
HETATM   47  H   UNL     1       9.043  -0.620  -1.110  1.00  0.00           H  
HETATM   48  H   UNL     1       6.974   1.243  -2.037  1.00  0.00           H  
HETATM   49  H   UNL     1       4.535   0.929  -1.986  1.00  0.00           H  
HETATM   50  H   UNL     1       2.744   0.706  -1.941  1.00  0.00           H  
HETATM   51  H   UNL     1       0.305   0.401  -1.875  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.865   0.064   0.515  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.805   2.675  -1.222  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.151   3.830   1.962  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.115   2.539   1.227  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.846   0.824  -0.552  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.590   0.475  -1.536  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.264  -1.733  -1.343  1.00  0.00           H  
HETATM   59  H   UNL     1       0.120  -2.870  -0.192  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.621  -3.976   1.174  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.041  -4.343   1.569  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.592  -2.649   1.883  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.427  -3.082   0.372  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.290  -4.427  -1.340  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.560  -4.819  -1.192  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.067  -6.343   0.697  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.797  -5.951   0.549  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.965  -6.817  -0.765  1.00  0.00           H  
HETATM   69  H   UNL     1      11.160   0.669  -1.031  1.00  0.00           H  
HETATM   70  H   UNL     1      11.233   0.441   0.733  1.00  0.00           H  
HETATM   71  H   UNL     1      11.380  -0.962  -0.353  1.00  0.00           H  
CONECT    1   20   19   35   36                                       
CONECT    2   27    3   37   38                                       
CONECT    3   28    2   29   39                                       
CONECT    4   33   33    5   40                                       
CONECT    5    4    6    6   41                                       
CONECT    6    5    5   15    7                                       
CONECT    7    8    6   14   14                                       
CONECT    8    9    9    7   42                                       
CONECT    9    8    8   10   43                                       
CONECT   10    9   13   13   11                                       
CONECT   11   10   12   44   45                                       
CONECT   12   11   34   46   47                                       
CONECT   13   10   10   14   48                                       
CONECT   14    7    7   13   49                                       
CONECT   15   16   16    6   50                                       
CONECT   16   33   15   15   51                                       
CONECT   17   18   18                                                 
CONECT   18   19   17   17   27                                       
CONECT   19   20    1   18   52                                       
CONECT   20   21    1   19   53                                       
CONECT   21   22   22   26   20                                       
CONECT   22   23   21   21                                            
CONECT   23   24   24   22   54                                       
CONECT   24   23   23   25   55                                       
CONECT   25   24   26   26   56                                       
CONECT   26   25   25   21   57                                       
CONECT   27   18   33    2                                            
CONECT   28    3   58   59                                            
CONECT   29    3   31   30   60                                       
CONECT   30   29   61   62   63                                       
CONECT   31   32   29   64   65                                       
CONECT   32   31   66   67   68                                       
CONECT   33   27    4    4   16                                       
CONECT   34   12   69   70   71                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
