COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -29.678  -0.899  -6.040  1.00  0.00           C  
HETATM    2  C   UNL     1     -29.960  -3.068  -8.047  1.00  0.00           C  
HETATM    3  C   UNL     1     -25.751  -1.442   0.525  1.00  0.00           C  
HETATM    4  C   UNL     1     -26.036  -0.110   1.195  1.00  0.00           C  
HETATM    5  C   UNL     1     -27.708   0.468  -0.639  1.00  0.00           C  
HETATM    6  C   UNL     1     -23.987  -2.053   2.456  1.00  0.00           C  
HETATM    7  C   UNL     1     -25.296   0.273   2.517  1.00  0.00           C  
HETATM    8  C   UNL     1     -27.125  -0.810  -5.000  1.00  0.00           C  
HETATM    9  C   UNL     1     -26.422  -1.809  -4.014  1.00  0.00           C  
HETATM   10  C   UNL     1     -27.430  -2.237  -3.316  1.00  0.00           C  
HETATM   11  C   UNL     1     -28.546  -2.614  -4.502  1.00  0.00           C  
HETATM   12  C   UNL     1     -26.657  -0.656  -6.321  1.00  0.00           C  
HETATM   13  C   UNL     1     -25.827   1.075  -8.112  1.00  0.00           C  
HETATM   14  C   UNL     1     -30.997  -1.647  -6.172  1.00  0.00           C  
HETATM   15  C   UNL     1     -32.875  -0.684  -4.697  1.00  0.00           C  
HETATM   16  C   UNL     1     -31.165  -2.191  -7.596  1.00  0.00           C  
HETATM   17  C   UNL     1     -27.412  -0.892  -1.322  1.00  0.00           C  
HETATM   18  C   UNL     1     -24.719  -2.430   1.154  1.00  0.00           C  
HETATM   19  C   UNL     1     -24.278  -0.702   3.138  1.00  0.00           C  
HETATM   20  C   UNL     1     -22.665  -4.019   2.215  1.00  0.00           C  
HETATM   21  C   UNL     1     -28.727   1.435  -1.266  1.00  0.00           C  
HETATM   22  C   UNL     1     -24.599   0.285  -8.653  1.00  0.00           C  
HETATM   23  C   UNL     1     -21.906  -2.838  -7.600  1.00  0.00           C  
HETATM   24  C   UNL     1     -20.713  -2.382  -6.752  1.00  0.00           C  
HETATM   25  C   UNL     1     -20.489  -3.289  -7.971  1.00  0.00           C  
HETATM   26  C   UNL     1     -22.831  -3.891  -6.950  1.00  0.00           C  
HETATM   27  C   UNL     1     -26.959   0.895  -9.141  1.00  0.00           C  
HETATM   28  C   UNL     1     -27.181   0.539 -10.640  1.00  0.00           C  
HETATM   29  C   UNL     1     -28.128  -0.318 -11.049  1.00  0.00           C  
HETATM   30  C   UNL     1     -29.082  -1.037 -10.060  1.00  0.00           C  
HETATM   31  C   UNL     1     -29.063  -2.559 -10.392  1.00  0.00           C  
HETATM   32  C   UNL     1     -26.140   2.188  -9.113  1.00  0.00           C  
HETATM   33  C   UNL     1     -30.132  -3.333  -9.573  1.00  0.00           C  
HETATM   34  C   UNL     1     -34.026   0.341  -4.615  1.00  0.00           C  
HETATM   35  C   UNL     1     -36.017  -0.901  -5.519  1.00  0.00           C  
HETATM   36  C   UNL     1     -38.296  -1.092  -6.115  1.00  0.00           C  
HETATM   37  C   UNL     1     -33.773   1.466  -3.610  1.00  0.00           C  
HETATM   38  C   UNL     1     -34.902   1.549  -2.565  1.00  0.00           C  
HETATM   39  C   UNL     1     -34.740   2.788  -1.677  1.00  0.00           C  
HETATM   40  C   UNL     1     -33.320   3.002  -1.119  1.00  0.00           C  
HETATM   41  C   UNL     1     -32.145   2.577  -2.028  1.00  0.00           C  
HETATM   42  C   UNL     1     -32.420   1.342  -2.904  1.00  0.00           C  
HETATM   43  N   UNL     1     -28.575  -1.457  -5.195  1.00  0.00           N  
HETATM   44  N   UNL     1     -26.275   0.713  -6.741  1.00  0.00           N  
HETATM   45  N   UNL     1     -32.110  -0.721  -5.965  1.00  0.00           N  
HETATM   46  N   UNL     1     -26.448  -1.813  -0.732  1.00  0.00           N  
HETATM   47  N   UNL     1     -27.019   0.829   0.598  1.00  0.00           N  
HETATM   48  N   UNL     1     -23.967  -0.813  -7.920  1.00  0.00           N  
HETATM   49  N   UNL     1     -35.259  -0.389  -4.362  1.00  0.00           N  
HETATM   50  O   UNL     1     -26.615  -1.564  -7.082  1.00  0.00           O  
HETATM   51  O   UNL     1     -29.514   0.134  -6.601  1.00  0.00           O  
HETATM   52  O   UNL     1     -32.613  -1.414  -3.794  1.00  0.00           O  
HETATM   53  O   UNL     1     -28.098  -1.217  -2.531  1.00  0.00           O  
HETATM   54  O   UNL     1     -23.053  -2.937   3.035  1.00  0.00           O  
HETATM   55  O   UNL     1     -24.127   0.567  -9.707  1.00  0.00           O  
HETATM   56  O   UNL     1     -22.980  -2.104 -10.009  1.00  0.00           O  
HETATM   57  O   UNL     1     -21.600  -0.557  -9.069  1.00  0.00           O  
HETATM   58  O   UNL     1     -35.596  -0.723  -6.620  1.00  0.00           O  
HETATM   59  O   UNL     1     -37.234  -1.593  -5.334  1.00  0.00           O  
HETATM   60  S   UNL     1     -22.615  -1.551  -8.696  1.00  0.00           S  
HETATM   61  H   UNL     1     -29.959  -4.020  -7.496  1.00  0.00           H  
HETATM   62  H   UNL     1     -29.015  -2.536  -7.860  1.00  0.00           H  
HETATM   63  H   UNL     1     -25.498   1.220   2.995  1.00  0.00           H  
HETATM   64  H   UNL     1     -27.239   0.164  -4.502  1.00  0.00           H  
HETATM   65  H   UNL     1     -25.931  -2.631  -4.557  1.00  0.00           H  
HETATM   66  H   UNL     1     -25.684  -1.296  -3.381  1.00  0.00           H  
HETATM   67  H   UNL     1     -27.224  -3.140  -2.723  1.00  0.00           H  
HETATM   68  H   UNL     1     -29.530  -2.853  -4.072  1.00  0.00           H  
HETATM   69  H   UNL     1     -28.205  -3.453  -5.127  1.00  0.00           H  
HETATM   70  H   UNL     1     -31.035  -2.474  -5.448  1.00  0.00           H  
HETATM   71  H   UNL     1     -31.262  -1.342  -8.289  1.00  0.00           H  
HETATM   72  H   UNL     1     -32.079  -2.802  -7.635  1.00  0.00           H  
HETATM   73  H   UNL     1     -24.518  -3.378   0.677  1.00  0.00           H  
HETATM   74  H   UNL     1     -23.767  -0.438   4.052  1.00  0.00           H  
HETATM   75  H   UNL     1     -21.939  -4.646   2.754  1.00  0.00           H  
HETATM   76  H   UNL     1     -23.550  -4.620   1.959  1.00  0.00           H  
HETATM   77  H   UNL     1     -22.204  -3.634   1.294  1.00  0.00           H  
HETATM   78  H   UNL     1     -28.804   2.340  -0.646  1.00  0.00           H  
HETATM   79  H   UNL     1     -28.396   1.711  -2.278  1.00  0.00           H  
HETATM   80  H   UNL     1     -29.710   0.945  -1.323  1.00  0.00           H  
HETATM   81  H   UNL     1     -20.575  -2.781  -5.736  1.00  0.00           H  
HETATM   82  H   UNL     1     -20.387  -1.332  -6.780  1.00  0.00           H  
HETATM   83  H   UNL     1     -20.191  -4.338  -7.829  1.00  0.00           H  
HETATM   84  H   UNL     1     -20.003  -2.889  -8.873  1.00  0.00           H  
HETATM   85  H   UNL     1     -22.231  -4.575  -6.331  1.00  0.00           H  
HETATM   86  H   UNL     1     -23.577  -3.385  -6.319  1.00  0.00           H  
HETATM   87  H   UNL     1     -23.344  -4.464  -7.737  1.00  0.00           H  
HETATM   88  H   UNL     1     -27.932   1.059  -8.655  1.00  0.00           H  
HETATM   89  H   UNL     1     -26.546   1.001 -11.381  1.00  0.00           H  
HETATM   90  H   UNL     1     -28.230  -0.515 -12.106  1.00  0.00           H  
HETATM   91  H   UNL     1     -28.739  -0.876  -9.027  1.00  0.00           H  
HETATM   92  H   UNL     1     -30.103  -0.643 -10.173  1.00  0.00           H  
HETATM   93  H   UNL     1     -29.268  -2.694 -11.464  1.00  0.00           H  
HETATM   94  H   UNL     1     -28.068  -2.964 -10.155  1.00  0.00           H  
HETATM   95  H   UNL     1     -25.434   2.408  -9.927  1.00  0.00           H  
HETATM   96  H   UNL     1     -26.603   3.124  -8.766  1.00  0.00           H  
HETATM   97  H   UNL     1     -31.134  -3.003  -9.885  1.00  0.00           H  
HETATM   98  H   UNL     1     -30.024  -4.411  -9.766  1.00  0.00           H  
HETATM   99  H   UNL     1     -34.108   0.809  -5.607  1.00  0.00           H  
HETATM  100  H   UNL     1     -39.205  -1.679  -5.918  1.00  0.00           H  
HETATM  101  H   UNL     1     -38.476  -0.038  -5.856  1.00  0.00           H  
HETATM  102  H   UNL     1     -38.035  -1.168  -7.181  1.00  0.00           H  
HETATM  103  H   UNL     1     -33.770   2.414  -4.168  1.00  0.00           H  
HETATM  104  H   UNL     1     -35.870   1.603  -3.085  1.00  0.00           H  
HETATM  105  H   UNL     1     -34.875   0.648  -1.934  1.00  0.00           H  
HETATM  106  H   UNL     1     -35.011   3.673  -2.272  1.00  0.00           H  
HETATM  107  H   UNL     1     -35.431   2.692  -0.826  1.00  0.00           H  
HETATM  108  H   UNL     1     -33.240   2.430  -0.183  1.00  0.00           H  
HETATM  109  H   UNL     1     -33.204   4.075  -0.905  1.00  0.00           H  
HETATM  110  H   UNL     1     -31.279   2.356  -1.387  1.00  0.00           H  
HETATM  111  H   UNL     1     -31.904   3.420  -2.692  1.00  0.00           H  
HETATM  112  H   UNL     1     -32.425   0.444  -2.269  1.00  0.00           H  
HETATM  113  H   UNL     1     -31.626   1.252  -3.660  1.00  0.00           H  
HETATM  114  H   UNL     1     -26.322   1.441  -6.057  1.00  0.00           H  
HETATM  115  H   UNL     1     -32.362  -0.094  -6.702  1.00  0.00           H  
HETATM  116  H   UNL     1     -24.298  -1.116  -7.026  1.00  0.00           H  
HETATM  117  H   UNL     1     -35.584  -0.540  -3.428  1.00  0.00           H  
CONECT    1   51   51   14   43                                       
CONECT    2   33   16   61   62                                       
CONECT    3   46   18   18    4                                       
CONECT    4    3   47    7    7                                       
CONECT    5   17   21   47   47                                       
CONECT    6   18   54   19   19                                       
CONECT    7    4    4   19   63                                       
CONECT    8   12   43    9   64                                       
CONECT    9    8   10   65   66                                       
CONECT   10   11    9   53   67                                       
CONECT   11   43   10   68   69                                       
CONECT   12   50   50   44    8                                       
CONECT   13   27   32   22   44                                       
CONECT   14   16    1   45   70                                       
CONECT   15   45   34   52   52                                       
CONECT   16    2   14   71   72                                       
CONECT   17   53   46   46    5                                       
CONECT   18    3    3    6   73                                       
CONECT   19    6    6    7   74                                       
CONECT   20   54   75   76   77                                       
CONECT   21    5   78   79   80                                       
CONECT   22   55   55   13   48                                       
CONECT   23   60   25   26   24                                       
CONECT   24   25   23   81   82                                       
CONECT   25   23   24   83   84                                       
CONECT   26   23   85   86   87                                       
CONECT   27   28   32   13   88                                       
CONECT   28   29   29   27   89                                       
CONECT   29   28   28   30   90                                       
CONECT   30   29   31   91   92                                       
CONECT   31   30   33   93   94                                       
CONECT   32   27   13   95   96                                       
CONECT   33   31    2   97   98                                       
CONECT   34   15   49   37   99                                       
CONECT   35   58   58   59   49                                       
CONECT   36   59  100  101  102                                       
CONECT   37   34   42   38  103                                       
CONECT   38   37   39  104  105                                       
CONECT   39   38   40  106  107                                       
CONECT   40   41   39  108  109                                       
CONECT   41   42   40  110  111                                       
CONECT   42   37   41  112  113                                       
CONECT   43    1    8   11                                            
CONECT   44   13   12  114                                            
CONECT   45   14   15  115                                            
CONECT   46   17   17    3                                            
CONECT   47    5    5    4                                            
CONECT   48   60   22  116                                            
CONECT   49   35   34  117                                            
CONECT   50   12   12                                                 
CONECT   51    1    1                                                 
CONECT   52   15   15                                                 
CONECT   53   10   17                                                 
CONECT   54   20    6                                                 
CONECT   55   22   22                                                 
CONECT   56   60   60                                                 
CONECT   57   60   60                                                 
CONECT   58   35   35                                                 
CONECT   59   36   35                                                 
CONECT   60   56   56   57   57                                       
CONECT   60   48   23                                                 
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   41                                                      
CONECT  112   42                                                      
CONECT  113   42                                                      
CONECT  114   44                                                      
CONECT  115   45                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
