REMARK  Name = BDB049712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.996  -1.455  -0.483  0.00  0.00    +0.134 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.853  -0.287  -0.413  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -1.518   0.954  -0.917  0.00  0.00    +0.259 A 
ATOM      4  O   LIG    1       -0.482   1.271  -1.479  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -2.610   1.916  -0.671  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1       -3.613   1.331  -0.016  0.00  0.00    +0.100 A 
ATOM      7 CL   LIG    1       -5.040   2.149   0.441  0.00  0.00    -0.074 Cl
ATOM      8  S   LIG    1       -3.371  -0.338   0.352  0.00  0.00    +0.004 S 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1       -0.173  -1.682   0.790  0.00  0.00    +0.033 C 
BRANCH   9  10
ATOM     10  C   LIG    1        0.856  -0.588   1.083  0.00  0.00    +0.122 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.946  -0.519   0.040  0.00  0.00    +0.307 C 
ATOM     12  O   LIG    1        2.214  -1.413  -0.752  0.00  0.00    -0.251 OA
BRANCH  11  14
ATOM     13  C   LIG    1        3.635   0.843  -0.831  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1        2.610   0.664   0.146  0.00  0.00    -0.468 OA
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 5