REMARK  Name = BDB002086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.696   0.775  -0.285  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        3.262   0.385  -0.108  0.00  0.00    +0.197 A 
ATOM      3  O   LIG    1        2.439   1.229  -0.772  0.00  0.00    -0.408 OA
ATOM      4  C   LIG    1        1.083   1.026  -0.724  0.00  0.00    +0.349 A 
ATOM      5  O   LIG    1        0.359   1.803  -1.332  0.00  0.00    -0.244 OA
ATOM      6  C   LIG    1        0.609  -0.107   0.054  0.00  0.00    +0.100 A 
ATOM      7  C   LIG    1        1.595  -0.855   0.661  0.00  0.00    +0.119 A 
ATOM      8  S   LIG    1        0.987  -2.164   1.556  0.00  0.00    -0.076 S 
ATOM      9  C   LIG    1       -0.615  -1.756   1.148  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -0.707  -0.636   0.339  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        2.925  -0.639   0.602  0.00  0.00    -0.209 NA
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -2.154  -0.133  -0.125  0.00  0.00    +0.021 A 
ATOM     13  S   LIG    1       -2.484   1.216  -1.115  0.00  0.00    -0.097 S 
ATOM     14  C   LIG    1       -4.169   0.968  -1.059  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.495  -0.128  -0.297  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.334  -0.761   0.240  0.00  0.00    +0.016 A 
ENDBRANCH  10  12
TORSDOF 1