COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.421   0.582   0.522  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.422   1.469   0.183  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.917   1.496  -1.109  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.414   0.635  -2.068  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.414  -0.257  -1.742  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.909  -0.289  -0.441  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.836  -1.242  -0.084  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.954  -2.421  -0.358  1.00  0.00           O  
HETATM    9  N   UNL     1      -8.727  -0.804   0.544  1.00  0.00           N  
HETATM   10  C   UNL     1      -8.605   0.601   0.955  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.302   1.170   0.386  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.620  -1.724   0.836  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.325  -1.134   0.268  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.131   0.285   0.819  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.824   0.870   0.280  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.643   0.057   0.815  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.336   0.642   0.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.155  -0.171   0.812  1.00  0.00           C  
HETATM   19  N   UNL     1       0.097   0.389   0.297  1.00  0.00           N  
HETATM   20  C   UNL     1       1.275  -0.169   0.638  1.00  0.00           C  
HETATM   21  O   UNL     1       1.300  -1.137   1.374  1.00  0.00           O  
HETATM   22  C   UNL     1       2.526   0.391   0.123  1.00  0.00           C  
HETATM   23  C   UNL     1       3.705  -0.167   0.464  1.00  0.00           C  
HETATM   24  C   UNL     1       4.963   0.396  -0.054  1.00  0.00           C  
HETATM   25  C   UNL     1       6.192  -0.173   0.292  1.00  0.00           C  
HETATM   26  C   UNL     1       4.949   1.509  -0.908  1.00  0.00           C  
HETATM   27  C   UNL     1       6.159   1.998  -1.366  1.00  0.00           C  
HETATM   28  C   UNL     1       7.333   1.381  -0.972  1.00  0.00           C  
HETATM   29  N   UNL     1       7.317   0.332  -0.172  1.00  0.00           N1+
HETATM   30  C1* UNL     1       8.587  -0.289   0.212  1.00  0.00           C  
HETATM   31  O4* UNL     1       9.594   0.721   0.433  1.00  0.00           O  
HETATM   32  C4* UNL     1      10.858   0.033   0.309  1.00  0.00           C  
HETATM   33  C5* UNL     1      11.980   1.030   0.012  1.00  0.00           C  
HETATM   34  O5* UNL     1      12.170   1.884   1.142  1.00  0.00           O  
HETATM   35  C3* UNL     1      10.666  -0.931  -0.882  1.00  0.00           C  
HETATM   36  O3* UNL     1      11.337  -2.169  -0.638  1.00  0.00           O  
HETATM   37  C2* UNL     1       9.137  -1.148  -0.948  1.00  0.00           C  
HETATM   38  O2* UNL     1       8.818  -2.527  -0.745  1.00  0.00           O  
HETATM   39  H   UNL     1     -11.032   0.565   1.529  1.00  0.00           H  
HETATM   40  H   UNL     1     -12.819   2.143   0.927  1.00  0.00           H  
HETATM   41  H   UNL     1     -13.701   2.192  -1.369  1.00  0.00           H  
HETATM   42  H   UNL     1     -12.806   0.662  -3.074  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.022  -0.929  -2.491  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.452   1.169   0.570  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.586   0.663   2.043  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.359   1.191  -0.702  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.152   2.182   0.762  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.522  -1.848   1.915  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.815  -2.691   0.372  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.481  -1.759   0.560  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.390  -1.096  -0.820  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.090   0.244   1.907  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.829   0.829  -0.809  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.729   1.906   0.605  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.638   0.098   1.905  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.739  -0.979   0.491  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.341   0.601  -0.812  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.241   1.678   0.602  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.150  -0.130   1.901  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.250  -1.207   0.488  1.00  0.00           H  
HETATM   61  H   UNL     1       0.077   1.161  -0.290  1.00  0.00           H  
HETATM   62  H   UNL     1       2.505   1.251  -0.531  1.00  0.00           H  
HETATM   63  H   UNL     1       3.727  -1.026   1.117  1.00  0.00           H  
HETATM   64  H   UNL     1       6.220  -1.033   0.944  1.00  0.00           H  
HETATM   65  H   UNL     1       4.018   1.971  -1.200  1.00  0.00           H  
HETATM   66  H   UNL     1       6.187   2.853  -2.025  1.00  0.00           H  
HETATM   67  H   UNL     1       8.278   1.761  -1.329  1.00  0.00           H  
HETATM   68  H1* UNL     1       8.456  -0.897   1.108  1.00  0.00           H  
HETATM   69  H4* UNL     1      11.077  -0.525   1.219  1.00  0.00           H  
HETATM   70 H5*1 UNL     1      12.903   0.487  -0.192  1.00  0.00           H  
HETATM   71 H5*2 UNL     1      11.712   1.630  -0.857  1.00  0.00           H  
HETATM   72  H5* UNL     1      12.868   2.543   1.024  1.00  0.00           H  
HETATM   73  H3* UNL     1      11.029  -0.477  -1.804  1.00  0.00           H  
HETATM   74  H3* UNL     1      12.294  -2.082  -0.528  1.00  0.00           H  
HETATM   75  H2* UNL     1       8.743  -0.800  -1.902  1.00  0.00           H  
HETATM   76  H2* UNL     1       9.141  -3.112  -1.444  1.00  0.00           H  
CONECT    1    2    2    6   39                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6    6   43                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   12                                            
CONECT   10    9   11   44   45                                       
CONECT   11   10   14   46   47                                       
CONECT   12    9   13   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   11   13   15   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   62                                       
CONECT   23   22   22   24   63                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24   29   64                                       
CONECT   26   24   27   27   65                                       
CONECT   27   26   26   28   66                                       
CONECT   28   27   29   29   67                                       
CONECT   29   25   28   28   30                                       
CONECT   30   29   31   37   68                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   35   69                                       
CONECT   33   32   34   70   71                                       
CONECT   34   33   72                                                 
CONECT   35   32   36   37   73                                       
CONECT   36   35   74                                                 
CONECT   37   30   35   38   75                                       
CONECT   38   37   76                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
