REMARK  Name = BDB062850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.097   0.887  -0.269  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.693  -0.286  -0.684  0.00  0.00    +0.061 A 
ATOM      3  S   LIG    1        0.439  -1.567  -0.780  0.00  0.00    -0.074 S 
ATOM      4  C   LIG    1        1.731  -0.575  -0.257  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1        1.297   0.717  -0.020  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -1.347   3.184   0.036  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -0.779   2.136  -0.103  0.00  0.00    -0.068 C 
ENDBRANCH   1   7
BRANCH   2   8
ATOM      8  S   LIG    1       -2.383  -0.549  -1.108  0.00  0.00    -0.120 S 
ATOM      9  C   LIG    1       -3.083  -0.753   0.546  0.00  0.00    +0.090 C 
ENDBRANCH   2   8
BRANCH   4  10
ATOM     10  C   LIG    1        3.081  -1.068  -0.102  0.00  0.00    +0.344 C 
ATOM     11  O   LIG    1        4.057  -0.427   0.262  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1        3.216  -2.378  -0.401  0.00  0.00    -0.477 OA
ATOM     13  H   LIG    1        4.168  -2.550  -0.252  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   4  10
TORSDOF 4