COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.953   3.321  -0.169  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.229   2.693  -0.733  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.549   1.125  -0.266  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.592  -1.475   0.089  1.00  0.00           N  
HETATM    5  C   UNL     1      -9.564  -2.286   0.828  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.639  -3.663   0.623  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.540  -2.856  -0.783  1.00  0.00           C  
HETATM    8  C   UNL     1       1.283   2.963   0.210  1.00  0.00           C  
HETATM    9  C   UNL     1       2.278   0.758  -0.509  1.00  0.00           C  
HETATM   10  C   UNL     1       4.335   0.966   0.145  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.485  -0.974   0.732  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.691  -2.715  -0.114  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.766  -4.091  -0.318  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.592  -1.908  -1.520  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.465  -1.480  -0.579  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.248   4.170  -1.250  1.00  0.00           C  
HETATM   17  C   UNL     1       3.665   2.153   0.487  1.00  0.00           C  
HETATM   18  C   UNL     1       5.618   2.977   1.376  1.00  0.00           C  
HETATM   19  C   UNL     1       1.257   3.929  -0.995  1.00  0.00           C  
HETATM   20  C   UNL     1       5.699   0.858   0.465  1.00  0.00           C  
HETATM   21  C   UNL     1       7.833  -0.381   0.495  1.00  0.00           C  
HETATM   22  C   UNL     1       8.377  -1.738   0.045  1.00  0.00           C  
HETATM   23  C   UNL     1       9.861  -1.836   0.401  1.00  0.00           C  
HETATM   24  C   UNL     1      10.397  -3.173  -0.042  1.00  0.00           C  
HETATM   25  C   UNL     1      10.929  -3.319  -1.310  1.00  0.00           C  
HETATM   26  C   UNL     1      11.420  -4.545  -1.717  1.00  0.00           C  
HETATM   27  C   UNL     1      11.379  -5.627  -0.856  1.00  0.00           C  
HETATM   28  C   UNL     1      10.847  -5.481   0.411  1.00  0.00           C  
HETATM   29  C   UNL     1      10.361  -4.253   0.821  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.394   0.321   0.724  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.574  -0.213   0.039  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.300  -1.220   1.999  1.00  0.00           N  
HETATM   33  N   UNL     1       2.369   1.990   0.067  1.00  0.00           N  
HETATM   34  N   UNL     1       3.433   0.159  -0.462  1.00  0.00           N  
HETATM   35  N   UNL     1       4.340   3.123   1.096  1.00  0.00           N  
HETATM   36  N   UNL     1       6.289   1.881   1.075  1.00  0.00           N  
HETATM   37  N   UNL     1       6.411  -0.287   0.154  1.00  0.00           N  
HETATM   38  O   UNL     1      -0.568   5.553  -1.088  1.00  0.00           O  
HETATM   39  O   UNL     1       0.002   2.294   0.178  1.00  0.00           O  
HETATM   40  O   UNL     1       1.913   5.155  -0.668  1.00  0.00           O  
HETATM   41  S   UNL     1      -3.089   1.786   0.582  1.00  0.00           S  
HETATM   42  H   UNL     1      -1.185   3.933   0.702  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.879   3.477  -1.119  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.970   2.005  -1.538  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.233   0.477  -1.083  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.142   1.948  -0.664  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.730  -1.292  -0.853  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.069  -3.171   1.228  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.979  -1.699   1.647  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.087  -4.543   0.955  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.062  -3.153   1.488  1.00  0.00           H  
HETATM   52  H   UNL     1     -14.343  -3.162  -1.454  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.963  -2.346   0.082  1.00  0.00           H  
HETATM   54  H   UNL     1       1.396   3.522   1.139  1.00  0.00           H  
HETATM   55  H   UNL     1       1.380   0.339  -0.938  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.267  -3.225  -0.979  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.342  -4.602  -1.183  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.441  -4.767   0.207  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.168  -2.418  -2.386  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.143  -1.028  -1.852  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.888  -0.969   0.286  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.790  -0.804  -1.104  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.528   3.828  -2.247  1.00  0.00           H  
HETATM   64  H   UNL     1       6.136   3.785   1.871  1.00  0.00           H  
HETATM   65  H   UNL     1       1.721   3.466  -1.865  1.00  0.00           H  
HETATM   66  H   UNL     1       7.955  -0.280   1.573  1.00  0.00           H  
HETATM   67  H   UNL     1       8.381   0.415  -0.009  1.00  0.00           H  
HETATM   68  H   UNL     1       7.829  -2.534   0.549  1.00  0.00           H  
HETATM   69  H   UNL     1       8.255  -1.839  -1.034  1.00  0.00           H  
HETATM   70  H   UNL     1      10.410  -1.040  -0.103  1.00  0.00           H  
HETATM   71  H   UNL     1       9.984  -1.736   1.480  1.00  0.00           H  
HETATM   72  H   UNL     1      10.961  -2.474  -1.982  1.00  0.00           H  
HETATM   73  H   UNL     1      11.835  -4.659  -2.707  1.00  0.00           H  
HETATM   74  H   UNL     1      11.762  -6.585  -1.174  1.00  0.00           H  
HETATM   75  H   UNL     1      10.814  -6.326   1.084  1.00  0.00           H  
HETATM   76  H   UNL     1       9.946  -4.139   1.811  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.801  -0.503   1.123  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.711   0.969   1.541  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.712  -0.030  -0.903  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.519  -0.867   2.452  1.00  0.00           H  
HETATM   81  H   UNL     1       5.969  -1.027  -0.291  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.152   6.132  -1.741  1.00  0.00           H  
HETATM   83  H   UNL     1       1.926   5.799  -1.389  1.00  0.00           H  
CONECT    1   16   39    2   42                                       
CONECT    2   41    1   43   44                                       
CONECT    3   30   41   45   46                                       
CONECT    4    5   11   47                                            
CONECT    5   12    4   48   49                                       
CONECT    6   12   13   50   51                                       
CONECT    7   14   13   52   53                                       
CONECT    8   33   19   39   54                                       
CONECT    9   34   34   33   55                                       
CONECT   10   34   20   20   17                                       
CONECT   11   32   32    4   31                                       
CONECT   12    5    6   15   56                                       
CONECT   13    6    7   57   58                                       
CONECT   14   15    7   59   60                                       
CONECT   15   12   14   61   62                                       
CONECT   16   19   38    1   63                                       
CONECT   17   10   33   35   35                                       
CONECT   18   36   36   35   64                                       
CONECT   19   40    8   16   65                                       
CONECT   20   37   10   10   36                                       
CONECT   21   22   37   66   67                                       
CONECT   22   23   21   68   69                                       
CONECT   23   24   22   70   71                                       
CONECT   24   29   29   25   23                                       
CONECT   25   26   26   24   72                                       
CONECT   26   27   25   25   73                                       
CONECT   27   28   28   26   74                                       
CONECT   28   27   27   29   75                                       
CONECT   29   28   24   24   76                                       
CONECT   30   31    3   77   78                                       
CONECT   31   11   30   79                                            
CONECT   32   11   11   80                                            
CONECT   33    9   17    8                                            
CONECT   34    9    9   10                                            
CONECT   35   17   17   18                                            
CONECT   36   20   18   18                                            
CONECT   37   21   20   81                                            
CONECT   38   16   82                                                 
CONECT   39    8    1                                                 
CONECT   40   19   83                                                 
CONECT   41    3    2                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
