COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.381   1.839   1.201  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.738   2.545   1.173  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.821   3.361   0.001  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.665   2.633  -1.220  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.306   1.928  -1.216  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.215   1.058  -0.034  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.016   0.358  -0.023  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.800   1.025   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.999  -1.052  -0.030  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.008  -2.040  -0.052  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.441  -3.212  -0.048  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.049  -3.063  -0.024  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.069  -4.151  -0.013  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.284  -5.019   1.228  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.242  -5.007  -1.270  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.762  -1.724  -0.013  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.627  -1.036   0.010  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.615   0.289   0.012  1.00  0.00           C  
HETATM   19  C   UNL     1       0.684   1.003   0.037  1.00  0.00           C  
HETATM   20  C   UNL     1       1.876   0.288  -0.052  1.00  0.00           C  
HETATM   21  C   UNL     1       0.716   2.393   0.144  1.00  0.00           C  
HETATM   22  C   UNL     1       1.927   3.055   0.168  1.00  0.00           C  
HETATM   23  C   UNL     1       3.109   2.345   0.085  1.00  0.00           C  
HETATM   24  C   UNL     1       3.086   0.961  -0.028  1.00  0.00           C  
HETATM   25  O   UNL     1       4.252   0.267  -0.114  1.00  0.00           O  
HETATM   26  C   UNL     1       5.463   1.026  -0.083  1.00  0.00           C  
HETATM   27  C   UNL     1       6.660   0.080  -0.191  1.00  0.00           C  
HETATM   28  O   UNL     1       6.710  -0.759   0.965  1.00  0.00           O  
HETATM   29  C   UNL     1       7.950   0.898  -0.283  1.00  0.00           C  
HETATM   30  N   UNL     1       9.087  -0.004  -0.507  1.00  0.00           N  
HETATM   31  H   UNL     1      -3.585   2.581   1.272  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.335   1.172   2.062  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.535   1.802   1.156  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.842   3.170   2.060  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.460   1.893  -1.306  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.716   3.322  -2.063  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.206   1.326  -2.119  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.510   2.671  -1.184  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.771   2.105   0.011  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.072  -1.855  -0.069  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.062  -3.733   0.006  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.290  -5.437   1.210  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.554  -5.829   1.236  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.160  -4.410   2.124  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.089  -4.388  -2.154  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.513  -5.816  -1.262  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.249  -5.424  -1.288  1.00  0.00           H  
HETATM   48  H   UNL     1       1.857  -0.788  -0.140  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.207   2.951   0.209  1.00  0.00           H  
HETATM   50  H   UNL     1       1.950   4.132   0.250  1.00  0.00           H  
HETATM   51  H   UNL     1       4.054   2.868   0.103  1.00  0.00           H  
HETATM   52  H   UNL     1       5.475   1.725  -0.920  1.00  0.00           H  
HETATM   53  H   UNL     1       5.520   1.580   0.854  1.00  0.00           H  
HETATM   54  H   UNL     1       6.557  -0.537  -1.084  1.00  0.00           H  
HETATM   55  H   UNL     1       6.802  -0.276   1.798  1.00  0.00           H  
HETATM   56  H   UNL     1       7.875   1.601  -1.113  1.00  0.00           H  
HETATM   57  H   UNL     1       8.099   1.447   0.646  1.00  0.00           H  
HETATM   58  H   UNL     1       9.951   0.512  -0.571  1.00  0.00           H  
HETATM   59  H   UNL     1       9.139  -0.707   0.216  1.00  0.00           H  
CONECT    1    6    2   31   32                                       
CONECT    2    3    1   33   34                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   35   36                                       
CONECT    5    6    4   37   38                                       
CONECT    6    7    5    1                                            
CONECT    7    9    9    8    6                                       
CONECT    8   18   18    7   39                                       
CONECT    9   10   16    7    7                                       
CONECT   10   11   11    9   40                                       
CONECT   11   12   10   10                                            
CONECT   12   13   11   16                                            
CONECT   13   15   14   12   41                                       
CONECT   14   13   42   43   44                                       
CONECT   15   13   45   46   47                                       
CONECT   16   12   17   17    9                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19    8    8                                       
CONECT   19   20   18   21   21                                       
CONECT   20   24   24   19   48                                       
CONECT   21   19   19   22   49                                       
CONECT   22   23   23   21   50                                       
CONECT   23   24   22   22   51                                       
CONECT   24   25   20   20   23                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   52   53                                       
CONECT   27   29   28   26   54                                       
CONECT   28   27   55                                                 
CONECT   29   30   27   56   57                                       
CONECT   30   29   58   59                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
