COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.477  -1.374   2.045  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.228  -1.093   3.351  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.551  -1.859   3.370  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.416  -1.443   2.176  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.652  -1.739   0.888  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.354  -0.940   0.873  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.645  -1.127  -0.441  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.418  -1.258  -1.588  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.887  -1.286  -1.471  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.655  -1.195  -2.654  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.028  -1.223  -3.858  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.640  -1.328  -3.966  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.837  -1.355  -2.869  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.511  -0.010  -0.070  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.030  -0.264  -0.359  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.769   2.142   1.050  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.196   0.863   0.932  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.622   2.635   1.893  1.00  0.00           C  
HETATM   19  C   UNL     1       0.735   3.083   1.917  1.00  0.00           C  
HETATM   20  C   UNL     1       1.999   3.049   1.098  1.00  0.00           C  
HETATM   21  C   UNL     1       2.440   4.180   0.426  1.00  0.00           C  
HETATM   22  C   UNL     1       3.603   4.115  -0.316  1.00  0.00           C  
HETATM   23  C   UNL     1       3.911   1.897   0.239  1.00  0.00           C  
HETATM   24  C   UNL     1       2.750   1.890   1.004  1.00  0.00           C  
HETATM   25  C   UNL     1       5.851   0.761  -0.524  1.00  0.00           C  
HETATM   26  C   UNL     1       7.894  -0.284  -1.152  1.00  0.00           C  
HETATM   27  C   UNL     1       8.893  -1.153  -0.753  1.00  0.00           C  
HETATM   28  C   UNL     1      10.152  -1.100  -1.358  1.00  0.00           C  
HETATM   29  C   UNL     1      10.385  -0.177  -2.378  1.00  0.00           C  
HETATM   30  C   UNL     1       9.380   0.682  -2.774  1.00  0.00           C  
HETATM   31  C   UNL     1       8.140   0.635  -2.166  1.00  0.00           C  
HETATM   32  C   UNL     1      11.018  -2.111  -0.716  1.00  0.00           C  
HETATM   33  C   UNL     1       8.958  -2.258   0.265  1.00  0.00           C  
HETATM   34  C   UNL     1       8.608  -1.741   1.663  1.00  0.00           C  
HETATM   35  C   UNL     1       8.967  -2.819   2.691  1.00  0.00           C  
HETATM   36  C   UNL     1      10.473  -3.084   2.681  1.00  0.00           C  
HETATM   37  C   UNL     1      10.894  -3.622   1.306  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.592   3.738   0.029  1.00  0.00           C  
HETATM   39  N   UNL     1     -11.457  -1.466  -0.294  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.299  -1.166  -0.504  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.243   0.893   0.075  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.428   2.112  -0.294  1.00  0.00           N  
HETATM   43  N   UNL     1      -3.561   2.881   0.265  1.00  0.00           N  
HETATM   44  N   UNL     1       4.296   2.995  -0.392  1.00  0.00           N  
HETATM   45  N   UNL     1       4.673   0.735   0.131  1.00  0.00           N  
HETATM   46  N   UNL     1       6.636  -0.335  -0.541  1.00  0.00           N  
HETATM   47  N   UNL     1      10.365  -2.701   0.292  1.00  0.00           N  
HETATM   48  N   UNL     1      -0.408   2.718   1.070  1.00  0.00           N1+
HETATM   49  O   UNL     1       6.206   1.772  -1.098  1.00  0.00           O  
HETATM   50  O   UNL     1      12.157  -2.368  -1.053  1.00  0.00           O  
HETATM   51  H   UNL     1      -7.544  -0.812   2.031  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.263  -2.440   1.968  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.615  -1.409   4.195  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.429  -0.025   3.430  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.350  -2.929   3.316  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.083  -1.638   4.295  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.348  -2.007   2.186  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.631  -0.376   2.235  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.730  -1.103  -2.600  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.621  -1.163  -4.759  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.192  -1.388  -4.947  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.767  -1.452  -2.978  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.652   0.145   0.999  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.840   0.877  -0.612  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.702  -1.151   0.183  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.890  -0.419  -1.428  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.783  -0.007   1.422  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.860   3.622   2.290  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.454   1.943   2.719  1.00  0.00           H  
HETATM   70  H   UNL     1       0.817   2.375   2.742  1.00  0.00           H  
HETATM   71  H   UNL     1       0.586   4.088   2.315  1.00  0.00           H  
HETATM   72  H   UNL     1       1.880   5.102   0.482  1.00  0.00           H  
HETATM   73  H   UNL     1       3.950   4.993  -0.841  1.00  0.00           H  
HETATM   74  H   UNL     1       2.438   0.993   1.517  1.00  0.00           H  
HETATM   75  H   UNL     1      11.352  -0.134  -2.857  1.00  0.00           H  
HETATM   76  H   UNL     1       9.564   1.396  -3.564  1.00  0.00           H  
HETATM   77  H   UNL     1       7.360   1.314  -2.479  1.00  0.00           H  
HETATM   78  H   UNL     1       8.293  -3.075  -0.016  1.00  0.00           H  
HETATM   79  H   UNL     1       9.177  -0.835   1.871  1.00  0.00           H  
HETATM   80  H   UNL     1       7.542  -1.523   1.717  1.00  0.00           H  
HETATM   81  H   UNL     1       8.666  -2.485   3.684  1.00  0.00           H  
HETATM   82  H   UNL     1       8.440  -3.741   2.445  1.00  0.00           H  
HETATM   83  H   UNL     1      11.006  -2.156   2.887  1.00  0.00           H  
HETATM   84  H   UNL     1      10.717  -3.820   3.447  1.00  0.00           H  
HETATM   85  H   UNL     1      11.982  -3.659   1.240  1.00  0.00           H  
HETATM   86  H   UNL     1      10.479  -4.618   1.154  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.780   4.705   0.497  1.00  0.00           H  
HETATM   88  H   UNL     1       0.309   3.800  -0.582  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.440   3.467  -0.600  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.852  -1.961  -0.836  1.00  0.00           H  
HETATM   91  H   UNL     1       4.356  -0.092   0.526  1.00  0.00           H  
HETATM   92  H   UNL     1       6.329  -1.158  -0.130  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.233   1.824   0.637  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.399  -2.799   0.878  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.590   0.117   0.998  1.00  0.00           H  
CONECT    1    6    2   51   52                                       
CONECT    2    3    1   53   54                                       
CONECT    3    4    2   55   56                                       
CONECT    4    5    3   57   58                                       
CONECT    5   39    4    6   94                                       
CONECT    6    5    7    1   95                                       
CONECT    7    8    8    6   40                                       
CONECT    8    9   13    7    7                                       
CONECT    9   10   39   39    8                                       
CONECT   10   11   11    9   59                                       
CONECT   11   10   10   12   60                                       
CONECT   12   11   13   13   61                                       
CONECT   13   12   12    8   62                                       
CONECT   14   15   40   63   64                                       
CONECT   15   41   14   65   66                                       
CONECT   16   18   43   17   17                                       
CONECT   17   16   16   41   67                                       
CONECT   18   48   16   68   69                                       
CONECT   19   48   20   70   71                                       
CONECT   20   24   19   21   21                                       
CONECT   21   20   20   22   72                                       
CONECT   22   44   44   21   73                                       
CONECT   23   45   24   24   44                                       
CONECT   24   23   23   20   74                                       
CONECT   25   49   49   45   46                                       
CONECT   26   27   46   31   31                                       
CONECT   27   33   28   28   26                                       
CONECT   28   32   27   27   29                                       
CONECT   29   28   30   30   75                                       
CONECT   30   29   29   31   76                                       
CONECT   31   26   26   30   77                                       
CONECT   32   47   50   50   28                                       
CONECT   33   47   34   27   78                                       
CONECT   34   35   33   79   80                                       
CONECT   35   36   34   81   82                                       
CONECT   36   37   35   83   84                                       
CONECT   37   36   47   85   86                                       
CONECT   38   48   87   88   89                                       
CONECT   39    9    9    5                                            
CONECT   40    7   14   90                                            
CONECT   41   17   42   15                                            
CONECT   42   43   43   41                                            
CONECT   43   16   42   42                                            
CONECT   44   23   22   22                                            
CONECT   45   25   23   91                                            
CONECT   46   25   26   92                                            
CONECT   47   37   33   32                                            
CONECT   48   38   18   19   93                                       
CONECT   49   25   25                                                 
CONECT   50   32   32                                                 
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   40                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   48                                                      
CONECT   94    5                                                      
CONECT   95    6                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
