COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.415   0.151  -0.136  1.00  0.00           N  
HETATM    2  C   UNL     1       6.463  -1.122   2.791  1.00  0.00           C  
HETATM    3  C   UNL     1       5.431  -0.268   2.050  1.00  0.00           C  
HETATM    4  N   UNL     1       7.820  -1.068   0.764  1.00  0.00           N  
HETATM    5  C   UNL     1       2.024   1.959  -0.252  1.00  0.00           C  
HETATM    6  O   UNL     1       8.235  -2.533  -1.135  1.00  0.00           O  
HETATM    7  C   UNL     1       2.092   0.564  -0.877  1.00  0.00           C  
HETATM    8  C   UNL     1      10.310  -1.030  -0.390  1.00  0.00           C  
HETATM    9  C   UNL     1       7.855  -0.847   2.216  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.199  -1.564  -0.431  1.00  0.00           N  
HETATM   11  C   UNL     1       6.806  -0.364  -0.034  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.861  -3.027  -0.618  1.00  0.00           O  
HETATM   13  C   UNL     1       5.425  -0.645   0.567  1.00  0.00           C  
HETATM   14  O   UNL     1       2.812  -1.287   0.397  1.00  0.00           O  
HETATM   15  C   UNL     1       3.131  -0.258  -0.159  1.00  0.00           C  
HETATM   16  N   UNL     1     -10.410  -2.497   0.564  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.465  -1.959  -0.189  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.365  -1.102   0.592  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.051   0.158   1.153  1.00  0.00           C  
HETATM   20  N   UNL     1      -9.108   0.603   1.770  1.00  0.00           N  
HETATM   21  N   UNL     1     -10.143  -0.329   1.643  1.00  0.00           N  
HETATM   22  C   UNL     1     -11.491  -0.193   2.199  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.692  -1.372   0.917  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.301  -2.419  -1.211  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.956  -1.753  -1.336  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.704  -0.904  -2.400  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.476  -0.286  -2.518  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.979  -1.987  -0.385  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.745  -1.380  -0.494  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.487  -0.519  -1.562  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.168   0.139  -1.682  1.00  0.00           C  
HETATM   32  O   UNL     1       0.056   0.885  -2.615  1.00  0.00           O  
HETATM   33  N   UNL     1       0.785  -0.088  -0.757  1.00  0.00           N  
HETATM   34  C   UNL     1       1.061   2.833  -1.057  1.00  0.00           C  
HETATM   35  C   UNL     1       0.993   4.228  -0.433  1.00  0.00           C  
HETATM   36  C   UNL     1       0.379   4.131   0.966  1.00  0.00           C  
HETATM   37  C   UNL     1       0.312   5.526   1.591  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.553   6.436   0.716  1.00  0.00           C  
HETATM   39  C   UNL     1       0.060   6.532  -0.683  1.00  0.00           C  
HETATM   40  C   UNL     1       0.128   5.137  -1.307  1.00  0.00           C  
HETATM   41  S   UNL     1       8.902  -2.091   0.039  1.00  0.00           S  
HETATM   42  O   UNL     1       9.261  -3.005   1.066  1.00  0.00           O  
HETATM   43  H   UNL     1       4.670   0.975  -0.581  1.00  0.00           H  
HETATM   44  H   UNL     1       6.450  -0.869   3.851  1.00  0.00           H  
HETATM   45  H   UNL     1       6.219  -2.177   2.665  1.00  0.00           H  
HETATM   46  H   UNL     1       4.442  -0.443   2.474  1.00  0.00           H  
HETATM   47  H   UNL     1       5.689   0.786   2.155  1.00  0.00           H  
HETATM   48  H   UNL     1       1.670   1.880   0.776  1.00  0.00           H  
HETATM   49  H   UNL     1       3.017   2.410  -0.261  1.00  0.00           H  
HETATM   50  H   UNL     1       2.360   0.651  -1.930  1.00  0.00           H  
HETATM   51  H   UNL     1       9.978  -0.243  -1.066  1.00  0.00           H  
HETATM   52  H   UNL     1      10.717  -0.583   0.517  1.00  0.00           H  
HETATM   53  H   UNL     1      11.080  -1.628  -0.877  1.00  0.00           H  
HETATM   54  H   UNL     1       8.138   0.186   2.421  1.00  0.00           H  
HETATM   55  H   UNL     1       8.579  -1.523   2.671  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.883  -0.713  -0.089  1.00  0.00           H  
HETATM   57  H   UNL     1       7.003   0.707  -0.012  1.00  0.00           H  
HETATM   58  H   UNL     1       6.837  -0.723  -1.062  1.00  0.00           H  
HETATM   59  H   UNL     1       5.191  -1.704   0.462  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.990  -3.196   0.039  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.335  -2.589   0.842  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.099   0.663   1.082  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.135   0.303   1.473  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.893  -1.181   2.425  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.449   0.401   3.112  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.185  -3.379  -0.707  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.722  -2.579  -2.204  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.471  -0.724  -3.139  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.281   0.376  -3.349  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.183  -2.648   0.445  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.983  -1.564   0.249  1.00  0.00           H  
HETATM   72  H   UNL     1       0.607  -0.683  -0.013  1.00  0.00           H  
HETATM   73  H   UNL     1       1.414   2.912  -2.085  1.00  0.00           H  
HETATM   74  H   UNL     1       0.068   2.382  -1.049  1.00  0.00           H  
HETATM   75  H   UNL     1       1.998   4.643  -0.360  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.626   3.717   0.893  1.00  0.00           H  
HETATM   77  H   UNL     1       0.996   3.483   1.589  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.125   5.457   2.587  1.00  0.00           H  
HETATM   79  H   UNL     1       1.317   5.941   1.663  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.559   6.021   0.643  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.601   7.430   1.161  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.556   7.180  -1.306  1.00  0.00           H  
HETATM   83  H   UNL     1       1.066   6.947  -0.610  1.00  0.00           H  
HETATM   84  H   UNL     1       0.565   5.206  -2.303  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.877   4.723  -1.380  1.00  0.00           H  
CONECT    1   13   15   43                                            
CONECT    2    9    3   44   45                                       
CONECT    3    2   13   46   47                                       
CONECT    4   41    9   11                                            
CONECT    5    7   34   48   49                                       
CONECT    6   41   41                                                 
CONECT    7   15   33    5   50                                       
CONECT    8   41   51   52   53                                       
CONECT    9    4    2   54   55                                       
CONECT   10   24   17   56                                            
CONECT   11    4   13   57   58                                       
CONECT   12   17   17                                                 
CONECT   13   11    3    1   59                                       
CONECT   14   15   15                                                 
CONECT   15   14   14    1    7                                       
CONECT   16   23   60   61                                            
CONECT   17   12   12   10   18                                       
CONECT   18   17   23   23   19                                       
CONECT   19   18   20   20   62                                       
CONECT   20   21   19   19                                            
CONECT   21   23   22   20                                            
CONECT   22   21   63   64   65                                       
CONECT   23   16   18   18   21                                       
CONECT   24   25   10   66   67                                       
CONECT   25   26   26   28   24                                       
CONECT   26   27   25   25   68                                       
CONECT   27   30   30   26   69                                       
CONECT   28   29   29   25   70                                       
CONECT   29   30   28   28   71                                       
CONECT   30   31   27   27   29                                       
CONECT   31   33   32   32   30                                       
CONECT   32   31   31                                                 
CONECT   33    7   31   72                                            
CONECT   34    5   35   73   74                                       
CONECT   35   34   36   40   75                                       
CONECT   36   37   35   76   77                                       
CONECT   37   36   38   78   79                                       
CONECT   38   37   39   80   81                                       
CONECT   39   38   40   82   83                                       
CONECT   40   35   39   84   85                                       
CONECT   41   42   42    6    6                                       
CONECT   41    8    4                                                 
CONECT   42   41   41                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
