REMARK  Name = BDB001958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.638  -0.467  -0.881  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -0.523  -0.113  -0.090  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -1.390  -1.200   0.068  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -2.591  -1.094   0.799  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.922   0.130   1.384  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -2.078   1.221   1.244  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1       -2.500   2.723   1.972  0.00  0.00    -0.084 Cl
ATOM      8  S   LIG    1       -0.791  -2.603  -0.724  0.00  0.00    -0.096 S 
ATOM      9  C   LIG    1       -0.888   1.116   0.520  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.598  -1.790  -1.274  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.750   0.475  -1.240  0.00  0.00    +0.156 C 
BRANCH  11  13
ATOM     12  O   LIG    1        2.639   1.663   0.691  0.00  0.00    -0.251 OA
ATOM     13  C   LIG    1        2.678   0.716  -0.079  0.00  0.00    +0.309 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.602  -0.254   0.073  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1        4.098   0.012   0.876  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 3