REMARK  Name = BDB064254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.608   0.276   2.272  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.387   0.159   1.074  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        0.130   0.028   0.522  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1        0.073  -0.200  -0.464  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.533   0.119   0.124  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.415   0.590  -1.193  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        3.533   0.537  -2.051  0.00  0.00    +0.103 A 
ATOM      8  C   LIG    1        4.738   0.025  -1.561  0.00  0.00    +0.060 A 
ATOM      9  S   LIG    1        5.869   0.110  -2.858  0.00  0.00    +0.037 S 
ATOM     10  N   LIG    1        4.762   0.776  -3.918  0.00  0.00    -0.109 NA
ATOM     11  C   LIG    1        4.881  -0.435  -0.245  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1        3.571   0.956  -3.376  0.00  0.00    -0.141 NA
ATOM     13  C   LIG    1        3.759  -0.373   0.588  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -1.171   0.033   1.284  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1       -1.206  -0.887   2.545  0.00  0.00    +0.192 C 
ATOM     16  O   LIG    1       -1.673   0.201   3.380  0.00  0.00    -0.375 OA
ATOM     17  C   LIG    1       -1.312   1.160   2.355  0.00  0.00    +0.192 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -2.397  -0.123   0.233  0.00  0.00    -0.020 A 
ATOM     19  C   LIG    1       -2.901  -1.385  -0.150  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.938  -1.524  -1.078  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.497  -0.393  -1.662  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -5.769  -0.557  -2.806  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -4.021   0.869  -1.329  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.983   0.996  -0.399  0.00  0.00    +0.007 A 
ENDBRANCH  14  18
ENDBRANCH   3  14
TORSDOF 3