COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.880  -1.565   0.560  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.495  -2.300  -0.437  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.740  -1.724  -1.668  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.369  -0.409  -1.905  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.855   0.549   1.422  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.316   4.086   1.006  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.503   2.499   1.404  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.948   1.872   1.081  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.353   1.757  -1.154  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.183   2.741   1.128  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.582   4.679   1.083  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.675   3.887   1.282  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.752   0.326  -0.902  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.627  -0.617   1.298  1.00  0.00           C  
HETATM   15  C   UNL     1       0.850  -0.513   1.017  1.00  0.00           C  
HETATM   16  C   UNL     1       2.809  -1.854   1.053  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.514  -0.252   0.329  1.00  0.00           C  
HETATM   18  C   UNL     1       3.465  -3.070   1.277  1.00  0.00           C  
HETATM   19  C   UNL     1       4.809  -3.166   1.068  1.00  0.00           C  
HETATM   20  C   UNL     1       5.500  -2.020   0.628  1.00  0.00           C  
HETATM   21  C   UNL     1       6.884  -2.051   0.393  1.00  0.00           C  
HETATM   22  C   UNL     1       7.524  -0.929  -0.032  1.00  0.00           C  
HETATM   23  C   UNL     1       6.820   0.262  -0.240  1.00  0.00           C  
HETATM   24  C   UNL     1       5.464   0.325  -0.019  1.00  0.00           C  
HETATM   25  C   UNL     1       4.778  -0.819   0.420  1.00  0.00           C  
HETATM   26  C   UNL     1       4.718   1.615  -0.246  1.00  0.00           C  
HETATM   27  C   UNL     1       4.232   1.671  -1.671  1.00  0.00           C  
HETATM   28  C   UNL     1       8.891   1.240  -0.876  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.257   2.018  -0.276  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.248  -0.657  -4.100  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.890  -3.703  -0.184  1.00  0.00           N1+
HETATM   32  N   UNL     1      -3.269   1.953   1.325  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.398   0.488   1.270  1.00  0.00           N  
HETATM   34  N   UNL     1       3.459  -0.786   0.642  1.00  0.00           N  
HETATM   35  O   UNL     1      -5.432  -4.351  -1.062  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.674  -4.211   0.901  1.00  0.00           O1-
HETATM   37  O   UNL     1      -5.474   1.781   1.583  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.122  -1.695   1.550  1.00  0.00           O  
HETATM   39  O   UNL     1       1.472  -1.776   1.260  1.00  0.00           O  
HETATM   40  O   UNL     1       3.539   2.735  -2.103  1.00  0.00           O  
HETATM   41  O   UNL     1       4.467   0.756  -2.425  1.00  0.00           O  
HETATM   42  O   UNL     1       7.484   1.369  -0.665  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.609   0.159  -3.116  1.00  0.00           O  
HETATM   44  H   UNL     1      -3.689  -2.017   1.523  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.221  -2.298  -2.447  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.140   0.148   2.394  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.442   4.701   0.849  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.263   2.155   1.880  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.267   1.825  -1.221  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.797   2.100  -2.088  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.705   2.382  -0.333  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.693   5.749   0.986  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.661   4.322   1.345  1.00  0.00           H  
HETATM   54  H   UNL     1       1.003  -0.227  -0.023  1.00  0.00           H  
HETATM   55  H   UNL     1       1.291   0.241   1.670  1.00  0.00           H  
HETATM   56  H   UNL     1       2.908  -3.931   1.615  1.00  0.00           H  
HETATM   57  H   UNL     1       5.331  -4.096   1.236  1.00  0.00           H  
HETATM   58  H   UNL     1       7.439  -2.964   0.550  1.00  0.00           H  
HETATM   59  H   UNL     1       8.589  -0.957  -0.212  1.00  0.00           H  
HETATM   60  H   UNL     1       3.865   1.666   0.431  1.00  0.00           H  
HETATM   61  H   UNL     1       5.384   2.458  -0.056  1.00  0.00           H  
HETATM   62  H   UNL     1       9.297   2.194  -1.213  1.00  0.00           H  
HETATM   63  H   UNL     1       9.374   0.949   0.057  1.00  0.00           H  
HETATM   64  H   UNL     1       9.077   0.479  -1.634  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.274   3.064  -0.582  1.00  0.00           H  
HETATM   66  H   UNL     1       0.776   1.679  -0.196  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.780   1.414  -1.017  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.629  -1.531  -4.304  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.221  -0.979  -3.729  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.380  -0.083  -5.017  1.00  0.00           H  
HETATM   71  H   UNL     1       3.248   2.725  -3.025  1.00  0.00           H  
CONECT    1   17    2    2   44                                       
CONECT    2    1    1    3   31                                       
CONECT    3    4    4    2   45                                       
CONECT    4   13   43    3    3                                       
CONECT    5   32   33   17   46                                       
CONECT    6   11   10   10   47                                       
CONECT    7   37   37   12   32                                       
CONECT    8   33   10   29   48                                       
CONECT    9   13   49   50   51                                       
CONECT   10   32    6    6    8                                       
CONECT   11   12   12    6   52                                       
CONECT   12    7   11   11   53                                       
CONECT   13    9   17   17    4                                       
CONECT   14   38   38   33   15                                       
CONECT   15   14   39   54   55                                       
CONECT   16   39   18   18   34                                       
CONECT   17    5   13   13    1                                       
CONECT   18   16   16   19   56                                       
CONECT   19   18   20   20   57                                       
CONECT   20   19   19   25   21                                       
CONECT   21   20   22   22   58                                       
CONECT   22   21   21   23   59                                       
CONECT   23   24   24   22   42                                       
CONECT   24   25   26   23   23                                       
CONECT   25   34   34   20   24                                       
CONECT   26   24   27   60   61                                       
CONECT   27   26   41   41   40                                       
CONECT   28   42   62   63   64                                       
CONECT   29    8   65   66   67                                       
CONECT   30   43   68   69   70                                       
CONECT   31    2   36   35   35                                       
CONECT   32    7    5   10                                            
CONECT   33    5   14    8                                            
CONECT   34   16   25   25                                            
CONECT   35   31   31                                                 
CONECT   36   31                                                      
CONECT   37    7    7                                                 
CONECT   38   14   14                                                 
CONECT   39   15   16                                                 
CONECT   40   27   71                                                 
CONECT   41   27   27                                                 
CONECT   42   23   28                                                 
CONECT   43    4   30                                                 
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
