COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.604  -1.117   0.149  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.401  -0.299  -0.244  1.00  0.00           C  
HETATM    3  S   UNL     1      -5.812  -0.909  -0.407  1.00  0.00           S  
HETATM    4  N   UNL     1      -7.422   0.963  -0.512  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.277   1.527  -0.841  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.233   0.694  -0.852  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.810   1.060  -1.191  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.111   1.455   0.019  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.824   1.814  -0.111  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.299   1.798  -1.199  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.034   2.236   1.101  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.408   3.612   0.851  1.00  0.00           C  
HETATM   13  C   UNL     1       0.504   3.973   2.026  1.00  0.00           C  
HETATM   14  C   UNL     1       1.630   2.942   2.135  1.00  0.00           C  
HETATM   15  C   UNL     1       1.027   1.559   2.399  1.00  0.00           C  
HETATM   16  N   UNL     1       0.040   1.266   1.351  1.00  0.00           N  
HETATM   17  C   UNL     1       0.119   0.128   0.633  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.662  -0.072  -0.273  1.00  0.00           O  
HETATM   19  C   UNL     1       1.178  -0.895   0.956  1.00  0.00           C  
HETATM   20  C   UNL     1       0.708  -2.277   0.496  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.520  -2.694   1.307  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.989  -4.076   0.847  1.00  0.00           C  
HETATM   23  C   UNL     1       0.134  -5.093   1.061  1.00  0.00           C  
HETATM   24  C   UNL     1       1.362  -4.675   0.250  1.00  0.00           C  
HETATM   25  C   UNL     1       1.831  -3.294   0.710  1.00  0.00           C  
HETATM   26  C   UNL     1       2.456  -0.536   0.244  1.00  0.00           C  
HETATM   27  C   UNL     1       3.605  -0.288   0.973  1.00  0.00           C  
HETATM   28  C   UNL     1       2.480  -0.461  -1.136  1.00  0.00           C  
HETATM   29  C   UNL     1       3.654  -0.131  -1.795  1.00  0.00           C  
HETATM   30  O   UNL     1       3.676  -0.056  -3.153  1.00  0.00           O  
HETATM   31  C   UNL     1       2.452  -0.330  -3.837  1.00  0.00           C  
HETATM   32  C   UNL     1       4.810   0.125  -1.066  1.00  0.00           C  
HETATM   33  O   UNL     1       5.964   0.449  -1.708  1.00  0.00           O  
HETATM   34  C   UNL     1       6.204   1.836  -1.952  1.00  0.00           C  
HETATM   35  C   UNL     1       4.784   0.042   0.322  1.00  0.00           C  
HETATM   36  O   UNL     1       5.911   0.291   1.040  1.00  0.00           O  
HETATM   37  C   UNL     1       5.811   0.188   2.461  1.00  0.00           C  
HETATM   38  H   UNL     1      -8.712  -1.106   1.233  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.497  -0.694  -0.310  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.472  -2.144  -0.193  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.191   2.576  -1.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.310   0.199  -1.635  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.807   1.888  -1.900  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.693   2.287   1.967  1.00  0.00           H  
HETATM   45  H   UNL     1       0.177   3.584  -0.068  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.196   4.359   0.760  1.00  0.00           H  
HETATM   47  H   UNL     1       0.932   4.962   1.863  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.076   3.977   2.949  1.00  0.00           H  
HETATM   49  H   UNL     1       2.196   2.921   1.204  1.00  0.00           H  
HETATM   50  H   UNL     1       2.293   3.213   2.958  1.00  0.00           H  
HETATM   51  H   UNL     1       1.815   0.807   2.380  1.00  0.00           H  
HETATM   52  H   UNL     1       0.540   1.553   3.375  1.00  0.00           H  
HETATM   53  H   UNL     1       1.352  -0.910   2.031  1.00  0.00           H  
HETATM   54  H   UNL     1       0.449  -2.239  -0.562  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.261  -2.732   2.365  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.320  -1.970   1.154  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.864  -4.374   1.424  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.248  -4.038  -0.212  1.00  0.00           H  
HETATM   59  H   UNL     1       0.393  -5.131   2.119  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.200  -6.078   0.733  1.00  0.00           H  
HETATM   61  H   UNL     1       2.162  -5.400   0.403  1.00  0.00           H  
HETATM   62  H   UNL     1       1.103  -4.638  -0.808  1.00  0.00           H  
HETATM   63  H   UNL     1       2.706  -2.996   0.132  1.00  0.00           H  
HETATM   64  H   UNL     1       2.090  -3.332   1.768  1.00  0.00           H  
HETATM   65  H   UNL     1       3.583  -0.352   2.050  1.00  0.00           H  
HETATM   66  H   UNL     1       1.581  -0.659  -1.702  1.00  0.00           H  
HETATM   67  H   UNL     1       2.125  -1.344  -3.604  1.00  0.00           H  
HETATM   68  H   UNL     1       1.689   0.380  -3.517  1.00  0.00           H  
HETATM   69  H   UNL     1       2.607  -0.237  -4.912  1.00  0.00           H  
HETATM   70  H   UNL     1       7.156   1.955  -2.470  1.00  0.00           H  
HETATM   71  H   UNL     1       5.401   2.240  -2.570  1.00  0.00           H  
HETATM   72  H   UNL     1       6.236   2.372  -1.004  1.00  0.00           H  
HETATM   73  H   UNL     1       5.069   0.898   2.826  1.00  0.00           H  
HETATM   74  H   UNL     1       5.509  -0.824   2.732  1.00  0.00           H  
HETATM   75  H   UNL     1       6.779   0.411   2.911  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2    6                                                 
CONECT    4    2    2    5                                            
CONECT    5    4    6    6   41                                       
CONECT    6    3    5    5    7                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   16   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14   47   48                                       
CONECT   14   13   15   49   50                                       
CONECT   15   14   16   51   52                                       
CONECT   16   11   15   17                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   26   53                                       
CONECT   20   19   21   25   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   61   62                                       
CONECT   25   20   24   63   64                                       
CONECT   26   19   27   27   28                                       
CONECT   27   26   26   35   65                                       
CONECT   28   26   29   29   66                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31                                                 
CONECT   31   30   67   68   69                                       
CONECT   32   29   33   35   35                                       
CONECT   33   32   34                                                 
CONECT   34   33   70   71   72                                       
CONECT   35   27   32   32   36                                       
CONECT   36   35   37                                                 
CONECT   37   36   73   74   75                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
