COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.829   0.166   7.484  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.404  -0.712   8.206  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.990   1.015   7.935  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.892   0.196   8.860  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.465   2.239   8.687  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.171  -0.294   5.665  1.00  0.00           N  
HETATM    7  C   UNL     1       0.063   0.248   4.458  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.784   1.223   4.245  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.601   1.347   5.290  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.235   0.393   6.220  1.00  0.00           C  
HETATM   11  C   UNL     1       1.140  -0.192   3.501  1.00  0.00           C  
HETATM   12  C   UNL     1       0.682   0.065   2.064  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.521  -0.822   1.745  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.132  -2.196   1.817  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.027  -0.509   0.336  1.00  0.00           C  
HETATM   16  N   UNL     1       0.039  -0.766  -0.634  1.00  0.00           N  
HETATM   17  C   UNL     1       0.099  -0.050  -1.775  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.669   0.869  -1.954  1.00  0.00           O  
HETATM   19  C   UNL     1       1.121  -0.394  -2.827  1.00  0.00           C  
HETATM   20  N   UNL     1       0.707   0.170  -4.113  1.00  0.00           N  
HETATM   21  C   UNL     1       1.054  -0.443  -5.262  1.00  0.00           C  
HETATM   22  O   UNL     1       1.711  -1.465  -5.230  1.00  0.00           O  
HETATM   23  C   UNL     1       2.479   0.186  -2.428  1.00  0.00           C  
HETATM   24  C   UNL     1       3.536  -0.239  -3.448  1.00  0.00           C  
HETATM   25  C   UNL     1       2.390   1.713  -2.394  1.00  0.00           C  
HETATM   26  C   UNL     1       2.422   0.595   3.777  1.00  0.00           C  
HETATM   27  C   UNL     1       2.950   0.233   5.141  1.00  0.00           C  
HETATM   28  C   UNL     1       3.840  -0.815   5.282  1.00  0.00           C  
HETATM   29  C   UNL     1       4.324  -1.147   6.533  1.00  0.00           C  
HETATM   30  C   UNL     1       3.920  -0.430   7.644  1.00  0.00           C  
HETATM   31  C   UNL     1       3.031   0.619   7.503  1.00  0.00           C  
HETATM   32  C   UNL     1       2.550   0.953   6.251  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.231  -1.397   0.017  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.730  -1.089  -1.371  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.225  -1.780  -2.456  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.682  -1.496  -3.730  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.644  -0.522  -3.917  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.150   0.167  -2.832  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.696  -0.118  -1.558  1.00  0.00           C  
HETATM   40  O   UNL     1       0.674   0.076  -6.444  1.00  0.00           O  
HETATM   41  C   UNL     1       1.048  -0.585  -7.682  1.00  0.00           C  
HETATM   42  C   UNL     1       0.502   0.192  -8.852  1.00  0.00           C  
HETATM   43  C   UNL     1       1.259   1.195  -9.429  1.00  0.00           C  
HETATM   44  C   UNL     1       0.758   1.908 -10.502  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.498   1.618 -10.998  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.255   0.615 -10.422  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.752  -0.100  -9.351  1.00  0.00           C  
HETATM   48  H   UNL     1      -3.561   1.340   7.065  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.732   0.810   9.186  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.266  -0.675   8.324  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.321  -0.129   9.729  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.894   1.914   9.556  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.822   2.823   8.028  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.304   2.853   9.013  1.00  0.00           H  
HETATM   55  H   UNL     1       0.314  -1.029   6.071  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.401   2.065   5.392  1.00  0.00           H  
HETATM   57  H   UNL     1       1.332  -1.257   3.635  1.00  0.00           H  
HETATM   58  H   UNL     1       1.496  -0.164   1.376  1.00  0.00           H  
HETATM   59  H   UNL     1       0.400   1.112   1.955  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.315  -0.631   2.467  1.00  0.00           H  
HETATM   61  H   UNL     1       0.569  -2.322   1.164  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.324   0.538   0.281  1.00  0.00           H  
HETATM   63  H   UNL     1       0.703  -1.450  -0.455  1.00  0.00           H  
HETATM   64  H   UNL     1       1.202  -1.478  -2.915  1.00  0.00           H  
HETATM   65  H   UNL     1       0.183   0.986  -4.139  1.00  0.00           H  
HETATM   66  H   UNL     1       2.757  -0.182  -1.441  1.00  0.00           H  
HETATM   67  H   UNL     1       4.504   0.174  -3.164  1.00  0.00           H  
HETATM   68  H   UNL     1       3.600  -1.327  -3.472  1.00  0.00           H  
HETATM   69  H   UNL     1       3.259   0.129  -4.435  1.00  0.00           H  
HETATM   70  H   UNL     1       2.181   2.087  -3.397  1.00  0.00           H  
HETATM   71  H   UNL     1       1.589   2.016  -1.720  1.00  0.00           H  
HETATM   72  H   UNL     1       3.336   2.125  -2.042  1.00  0.00           H  
HETATM   73  H   UNL     1       3.169   0.351   3.022  1.00  0.00           H  
HETATM   74  H   UNL     1       2.206   1.663   3.742  1.00  0.00           H  
HETATM   75  H   UNL     1       4.156  -1.375   4.414  1.00  0.00           H  
HETATM   76  H   UNL     1       5.019  -1.967   6.643  1.00  0.00           H  
HETATM   77  H   UNL     1       4.298  -0.690   8.621  1.00  0.00           H  
HETATM   78  H   UNL     1       2.715   1.179   8.370  1.00  0.00           H  
HETATM   79  H   UNL     1       1.855   1.773   6.141  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.934  -2.445   0.071  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.025  -1.207   0.739  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.473  -2.541  -2.309  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.287  -2.036  -4.578  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.001  -0.300  -4.912  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.902   0.929  -2.979  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.091   0.421  -0.710  1.00  0.00           H  
HETATM   87  H   UNL     1       2.134  -0.634  -7.754  1.00  0.00           H  
HETATM   88  H   UNL     1       0.637  -1.594  -7.693  1.00  0.00           H  
HETATM   89  H   UNL     1       2.241   1.421  -9.041  1.00  0.00           H  
HETATM   90  H   UNL     1       1.349   2.691 -10.952  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.890   2.176 -11.836  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.237   0.389 -10.809  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.343  -0.884  -8.901  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5   48                                       
CONECT    4    3   49   50   51                                       
CONECT    5    3   52   53   54                                       
CONECT    6    7   10   55                                            
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   10   56                                       
CONECT   10    1    6    9    9                                       
CONECT   11    7   12   26   57                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   14   15   60                                       
CONECT   14   13   61                                                 
CONECT   15   13   16   33   62                                       
CONECT   16   15   17   63                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   23   64                                       
CONECT   20   19   21   65                                            
CONECT   21   20   22   22   40                                       
CONECT   22   21   21                                                 
CONECT   23   19   24   25   66                                       
CONECT   24   23   67   68   69                                       
CONECT   25   23   70   71   72                                       
CONECT   26   11   27   73   74                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   75                                       
CONECT   29   28   30   30   76                                       
CONECT   30   29   29   31   77                                       
CONECT   31   30   32   32   78                                       
CONECT   32   27   31   31   79                                       
CONECT   33   15   34   80   81                                       
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   82                                       
CONECT   36   35   37   37   83                                       
CONECT   37   36   36   38   84                                       
CONECT   38   37   39   39   85                                       
CONECT   39   34   38   38   86                                       
CONECT   40   21   41                                                 
CONECT   41   40   42   87   88                                       
CONECT   42   41   43   43   47                                       
CONECT   43   42   42   44   89                                       
CONECT   44   43   45   45   90                                       
CONECT   45   44   44   46   91                                       
CONECT   46   45   47   47   92                                       
CONECT   47   42   46   46   93                                       
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
