COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.202  -0.345  -0.398  1.00  0.00           C  
HETATM    2  C   UNL     1       5.231  -1.365   0.018  1.00  0.00           C  
HETATM    3  C   UNL     1       5.241  -1.849   1.313  1.00  0.00           C  
HETATM    4  C   UNL     1       6.185  -2.784   1.694  1.00  0.00           C  
HETATM    5  C   UNL     1       7.118  -3.236   0.780  1.00  0.00           C  
HETATM    6  C   UNL     1       7.107  -2.753  -0.516  1.00  0.00           C  
HETATM    7  C   UNL     1       6.161  -1.821  -0.898  1.00  0.00           C  
HETATM    8  S   UNL     1       4.850   1.323  -0.102  1.00  0.00           S  
HETATM    9  O   UNL     1       4.969   1.573   1.292  1.00  0.00           O  
HETATM   10  O   UNL     1       5.923   1.606  -0.991  1.00  0.00           O  
HETATM   11  N   UNL     1       3.634   2.333  -0.596  1.00  0.00           N  
HETATM   12  C   UNL     1       2.353   2.339   0.115  1.00  0.00           C  
HETATM   13  C   UNL     1       1.787   3.761   0.130  1.00  0.00           C  
HETATM   14  C   UNL     1       0.338   3.701   0.627  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.509   2.976  -0.420  1.00  0.00           C  
HETATM   16  C   UNL     1       1.394   1.414  -0.577  1.00  0.00           C  
HETATM   17  O   UNL     1       1.808   0.342  -0.964  1.00  0.00           O  
HETATM   18  N   UNL     1       0.111   1.709  -0.789  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.729   0.696  -1.433  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.350  -0.185  -0.379  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.114   0.014   0.794  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.342  -1.030  -1.454  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.758  -0.376  -0.133  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.167  -1.194  -0.740  1.00  0.00           N  
HETATM   25  CA  UNL     1      -2.770  -2.051   0.284  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.809  -3.152   0.648  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.730  -3.216   0.108  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.064  -2.662  -0.259  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.428   1.370   1.002  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.551   0.069   0.576  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.333  -2.145  -1.171  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.085  -1.551  -0.512  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.476  -0.903   0.820  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.400   1.727   1.720  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.390   2.295   0.673  1.00  0.00           N  
HETATM   36  H   UNL     1       3.978  -0.465  -1.458  1.00  0.00           H  
HETATM   37  H   UNL     1       3.292  -0.489   0.184  1.00  0.00           H  
HETATM   38  H   UNL     1       4.512  -1.495   2.027  1.00  0.00           H  
HETATM   39  H   UNL     1       6.193  -3.161   2.705  1.00  0.00           H  
HETATM   40  H   UNL     1       7.856  -3.966   1.077  1.00  0.00           H  
HETATM   41  H   UNL     1       7.837  -3.106  -1.230  1.00  0.00           H  
HETATM   42  H   UNL     1       6.150  -1.446  -1.911  1.00  0.00           H  
HETATM   43  H   UNL     1       3.770   2.920  -1.356  1.00  0.00           H  
HETATM   44  H   UNL     1       2.506   2.000   1.139  1.00  0.00           H  
HETATM   45  H   UNL     1       2.379   4.385   0.800  1.00  0.00           H  
HETATM   46  H   UNL     1       1.813   4.177  -0.877  1.00  0.00           H  
HETATM   47  H   UNL     1       0.297   3.157   1.570  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.043   4.712   0.768  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.502   2.786  -0.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.598   3.602  -1.308  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.516   1.186  -2.006  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.118   0.088  -2.101  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.220  -1.450  -1.945  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.885  -0.282  -2.102  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.400   0.481  -0.336  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.296  -1.100   0.480  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.356  -1.354  -1.679  1.00  0.00           H  
HETATM   58  HA  UNL     1      -2.994  -1.456   1.169  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.855  -3.183  -1.194  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.466  -3.367   0.468  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.781  -2.880  -0.503  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.053  -2.628  -2.108  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.650  -0.799  -1.169  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.612  -0.393   1.245  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.827  -1.670   1.510  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.314   2.645   2.021  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.194   2.014   0.208  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.266   3.228   0.905  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.084  -3.885   1.392  1.00  0.00           H  
CONECT    1    2    8   36   37                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   38                                       
CONECT    4    3    5    5   39                                       
CONECT    5    4    4    6   40                                       
CONECT    6    5    7    7   41                                       
CONECT    7    2    6    6   42                                       
CONECT    8    1    9    9   11                                       
CONECT    8   10   10                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   12   43    8                                            
CONECT   12   11   13   16   44                                       
CONECT   13   12   14   45   46                                       
CONECT   14   13   15   47   48                                       
CONECT   15   14   49   50   18                                       
CONECT   16   12   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   16                                            
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20                                                 
CONECT   22   23   31   53   54                                       
CONECT   23   22   30   55   56                                       
CONECT   24   25   57   20                                            
CONECT   25   24   26   28   58                                       
CONECT   26   25   27   27   69                                       
CONECT   27   26   26                                                 
CONECT   28   25   32   59   60                                       
CONECT   29   30   34   34   35                                       
CONECT   30   23   29   33                                            
CONECT   31   22   32   61   62                                       
CONECT   32   28   31   33   63                                       
CONECT   33   30   32   64   65                                       
CONECT   34   29   29   66                                            
CONECT   35   29   67   68                                            
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   26                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
