REMARK  Name = BDB049711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.341  -0.591   0.088  0.00  0.00    -0.277 N 
ATOM      2  C   LIG    1        1.873  -0.499  -1.184  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1        1.762  -1.308  -2.091  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        2.618   0.766  -1.334  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1        2.550   1.486  -0.214  0.00  0.00    +0.100 A 
ATOM      6 CL   LIG    1        3.290   3.015  -0.034  0.00  0.00    -0.074 Cl
ATOM      7  S   LIG    1        1.648   0.764   1.067  0.00  0.00    +0.004 S 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        0.486  -1.679   0.526  0.00  0.00    +0.144 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -0.938  -1.562   0.002  0.00  0.00    +0.143 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.689  -0.509   0.766  0.00  0.00    +0.309 C 
ATOM     11  O   LIG    1       -2.002  -0.614   1.945  0.00  0.00    -0.251 OA
BRANCH  10  13
ATOM     12  C   LIG    1       -2.643   1.623   0.640  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1       -1.952   0.565  -0.026  0.00  0.00    -0.468 OA
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
TORSDOF 4