REMARK  Name = BDB002533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.215   0.984  -0.249  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1       -0.627  -0.249   0.101  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -1.438  -1.373   0.287  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.832  -1.293   0.130  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -3.669  -2.524   0.339  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1       -3.400  -0.060  -0.218  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -5.107   0.119  -0.428  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -2.600   1.071  -0.406  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   2   9
ATOM      9  N   LIG    1        0.776  -0.268   0.245  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        1.232   0.626   0.062  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        1.609  -1.323   0.543  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        1.249  -2.480   0.755  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1        3.090  -0.968   0.658  0.00  0.00    +0.164 C 
BRANCH  13  14
ATOM     14  S   LIG    1        3.530   0.662  -0.036  0.00  0.00    -0.155 S 
ATOM     15  C   LIG    1        5.309   0.614   0.288  0.00  0.00    +0.085 C 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2   9
BRANCH   1  17
ATOM     16  C   LIG    1       -0.884   3.287  -0.793  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.338   2.032  -0.408  0.00  0.00    -0.493 OA
ENDBRANCH   1  17
TORSDOF 4