COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.530   1.007   1.422  1.00  0.00           C  
HETATM    2  C   UNL     1       0.299   1.272   0.553  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.376  -1.069   0.509  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.035  -3.359   0.641  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.563  -3.467   0.841  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.023  -5.362  -0.355  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.776  -5.498  -2.346  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.871   1.699   1.442  1.00  0.00           C  
HETATM    9  C   UNL     1       7.973   1.233  -1.730  1.00  0.00           C  
HETATM   10  C   UNL     1       6.814   2.000  -1.828  1.00  0.00           C  
HETATM   11  C   UNL     1       5.914   2.026  -0.776  1.00  0.00           C  
HETATM   12  C   UNL     1       6.166   1.292   0.369  1.00  0.00           C  
HETATM   13  C   UNL     1       7.316   0.532   0.467  1.00  0.00           C  
HETATM   14  C   UNL     1       8.219   0.501  -0.580  1.00  0.00           C  
HETATM   15  C   UNL     1       3.944  -1.145   1.916  1.00  0.00           C  
HETATM   16  C   UNL     1       2.700   0.580   0.533  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.663  -4.650  -0.113  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.222  -4.287  -1.554  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.046   2.078   0.579  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.193   3.383   0.147  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.269   3.733  -0.645  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.204   2.774  -1.006  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.055   1.465  -0.571  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.973   1.119   0.216  1.00  0.00           C  
HETATM   25  C   UNL     1       4.106  -4.570   0.169  1.00  0.00           C  
HETATM   26  C   UNL     1       4.102  -2.145   0.768  1.00  0.00           C  
HETATM   27  C   UNL     1       4.074  -3.569   1.326  1.00  0.00           C  
HETATM   28  C   UNL     1       5.435  -1.900   0.059  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.187   2.076  -2.116  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.278   0.070  -0.144  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.784   0.936   1.860  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.085  -1.046  -0.812  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.631   0.500   2.767  1.00  0.00           C  
HETATM   34  C   UNL     1       7.762   1.906  -3.848  1.00  0.00           C  
HETATM   35  N   UNL     1       3.842   0.211   1.372  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.060   0.050  -0.172  1.00  0.00           N  
HETATM   37  O   UNL     1       5.717   0.847   2.846  1.00  0.00           O  
HETATM   38  O   UNL     1       4.389   2.601   1.660  1.00  0.00           O  
HETATM   39  O   UNL     1       1.879   2.198   2.129  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.365  -1.065   1.724  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.706  -2.192  -0.157  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.015  -4.320  -0.229  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.014  -5.841  -1.706  1.00  0.00           O  
HETATM   44  O   UNL     1       6.804   2.620  -3.044  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.265   3.116  -1.784  1.00  0.00           O  
HETATM   46  O   UNL     1       8.686   1.370  -2.886  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.261   0.523  -1.039  1.00  0.00           O  
HETATM   48  O   UNL     1      -6.282   1.210   0.550  1.00  0.00           O  
HETATM   49  O   UNL     1      -7.968   2.905  -0.258  1.00  0.00           O  
HETATM   50  P   UNL     1      -7.221   1.694  -0.665  1.00  0.00           P  
HETATM   51  S   UNL     1       5.019   1.328   1.706  1.00  0.00           S  
HETATM   52  H   UNL     1       1.307   0.213   2.135  1.00  0.00           H  
HETATM   53  H   UNL     1       0.521   2.066  -0.160  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.526  -3.319   1.603  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.787  -3.918   1.808  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.026  -2.483   0.766  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.191  -6.169   0.359  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.942  -5.224  -3.388  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.086  -6.339  -2.282  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.151   0.872   2.095  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.573   2.555   2.047  1.00  0.00           H  
HETATM   62  H   UNL     1       5.014   2.619  -0.850  1.00  0.00           H  
HETATM   63  H   UNL     1       7.509  -0.039   1.363  1.00  0.00           H  
HETATM   64  H   UNL     1       9.117  -0.094  -0.501  1.00  0.00           H  
HETATM   65  H   UNL     1       3.041  -1.379   2.480  1.00  0.00           H  
HETATM   66  H   UNL     1       4.811  -1.208   2.574  1.00  0.00           H  
HETATM   67  H   UNL     1       2.402  -0.276  -0.073  1.00  0.00           H  
HETATM   68  H   UNL     1       2.980   1.406  -0.120  1.00  0.00           H  
HETATM   69  H   UNL     1       0.058  -5.266   0.425  1.00  0.00           H  
HETATM   70  H   UNL     1       0.863  -4.231  -1.630  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.686  -3.357  -1.883  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.464   4.129   0.428  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.384   4.753  -0.982  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.781   0.716  -0.851  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.854   0.099   0.551  1.00  0.00           H  
HETATM   76  H   UNL     1       4.086  -5.585   0.566  1.00  0.00           H  
HETATM   77  H   UNL     1       3.237  -4.413  -0.471  1.00  0.00           H  
HETATM   78  H   UNL     1       5.016  -4.425  -0.412  1.00  0.00           H  
HETATM   79  H   UNL     1       3.283  -2.016   0.060  1.00  0.00           H  
HETATM   80  H   UNL     1       3.163  -3.714   1.907  1.00  0.00           H  
HETATM   81  H   UNL     1       4.942  -3.726   1.966  1.00  0.00           H  
HETATM   82  H   UNL     1       5.589  -2.669  -0.699  1.00  0.00           H  
HETATM   83  H   UNL     1       5.419  -0.919  -0.417  1.00  0.00           H  
HETATM   84  H   UNL     1       6.246  -1.938   0.786  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.823   2.404  -2.939  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.637   1.184  -2.416  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.941   0.900   0.102  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.818  -0.310   0.767  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.525   0.139   1.806  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.247   1.835   2.267  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.422  -1.875  -1.059  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.861  -1.391  -0.130  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.546  -0.665  -1.724  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.890   1.298   2.821  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.014   0.292   3.766  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.168  -0.399   2.360  1.00  0.00           H  
HETATM   97  H   UNL     1       7.270   1.103  -4.396  1.00  0.00           H  
HETATM   98  H   UNL     1       8.272   2.582  -4.534  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.069   0.047  -1.142  1.00  0.00           H  
HETATM  100  H   UNL     1       2.091   2.948   1.556  1.00  0.00           H  
CONECT    1   39   16    2   52                                       
CONECT    2    1    8   36   53                                       
CONECT    3   36   41   40   40                                       
CONECT    4   41    5   17   54                                       
CONECT    5   42    4   55   56                                       
CONECT    6   42   43   17   57                                       
CONECT    7   43   18   58   59                                       
CONECT    8    2   19   60   61                                       
CONECT    9   46   14   14   10                                       
CONECT   10    9   44   11   11                                       
CONECT   11   10   10   12   62                                       
CONECT   12   13   13   11   51                                       
CONECT   13   14   12   12   63                                       
CONECT   14    9    9   13   64                                       
CONECT   15   26   35   65   66                                       
CONECT   16    1   35   67   68                                       
CONECT   17    4    6   18   69                                       
CONECT   18    7   17   70   71                                       
CONECT   19    8   24   24   20                                       
CONECT   20   19   21   21   72                                       
CONECT   21   20   20   22   73                                       
CONECT   22   23   23   21   45                                       
CONECT   23   24   22   22   74                                       
CONECT   24   19   19   23   75                                       
CONECT   25   27   76   77   78                                       
CONECT   26   27   15   28   79                                       
CONECT   27   25   26   80   81                                       
CONECT   28   26   82   83   84                                       
CONECT   29   45   50   85   86                                       
CONECT   30   32   47   87   88                                       
CONECT   31   48   33   89   90                                       
CONECT   32   30   91   92   93                                       
CONECT   33   31   94   95   96                                       
CONECT   34   46   44   97   98                                       
CONECT   35   15   16   51                                            
CONECT   36    2    3   99                                            
CONECT   37   51   51                                                 
CONECT   38   51   51                                                 
CONECT   39    1  100                                                 
CONECT   40    3    3                                                 
CONECT   41    3    4                                                 
CONECT   42    5    6                                                 
CONECT   43    7    6                                                 
CONECT   44   34   10                                                 
CONECT   45   22   29                                                 
CONECT   46   34    9                                                 
CONECT   47   30   50                                                 
CONECT   48   50   31                                                 
CONECT   49   50   50                                                 
CONECT   50   29   47   48   49                                       
CONECT   50   49                                                      
CONECT   51   12   35   37   37                                       
CONECT   51   38   38                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   36                                                      
CONECT  100   39                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
