REMARK  Name = BDB058888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.519   1.221  -0.288  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.703   2.134  -0.737  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.924   2.442  -0.656  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.982   1.339  -0.119  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1        1.845   0.649   0.270  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.871  -0.372   0.285  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.287   0.657   0.103  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.449  -0.352   1.062  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.697  -0.959   1.234  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        6.782  -0.555   0.457  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        8.315  -1.304   0.674  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        6.633   0.457  -0.490  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        5.387   1.065  -0.664  0.00  0.00    +0.014 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.222   0.197  -1.445  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        0.240  -1.151  -1.172  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.047   0.817  -2.738  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.923   0.317  -0.972  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -2.401  -0.479   0.073  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.752  -0.411   0.448  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.623   0.462  -0.247  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -5.974   0.526   0.131  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.459  -0.258   1.179  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.603  -1.117   1.861  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.123   1.243  -1.302  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.257  -1.194   1.498  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.779   1.171  -1.670  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4