REMARK  Name = BDB001850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.872  -0.763  -0.269  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        2.413  -0.520  -0.081  0.00  0.00    -0.011 A 
ATOM      3  S   LIG    1        1.298  -1.786  -0.322  0.00  0.00    -0.075 S 
ATOM      4  C   LIG    1       -0.037  -0.802   0.109  0.00  0.00    +0.137 A 
ATOM      5  C   LIG    1        0.347   0.511   0.350  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        1.777   0.646   0.282  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.563   1.596   0.659  0.00  0.00    +0.241 A 
ATOM      8  O   LIG    1       -1.756   1.592   0.007  0.00  0.00    -0.397 OA
ATOM      9  C   LIG    1       -2.444   2.689   0.408  0.00  0.00    +0.397 A 
ATOM     10  O   LIG    1       -3.552   2.996  -0.003  0.00  0.00    -0.235 OA
ATOM     11  S   LIG    1       -1.511   3.637   1.549  0.00  0.00    +0.098 S 
ATOM     12  N   LIG    1       -0.218   2.556   1.461  0.00  0.00    -0.167 NA
ENDBRANCH   5   7
BRANCH   4  13
ATOM     13  S   LIG    1       -1.618  -1.636   0.180  0.00  0.00    +0.001 S 
ATOM     14  O   LIG    1       -1.356  -3.027   0.485  0.00  0.00    -0.169 OA
ATOM     15  O   LIG    1       -2.429  -0.812   1.053  0.00  0.00    -0.169 OA
ATOM     16  C   LIG    1       -2.226  -1.509  -1.482  0.00  0.00    +0.201 C 
ENDBRANCH   4  13
TORSDOF 2