REMARK  Name = BDB049725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.126  -0.978   0.905  0.00  0.00    -0.328 N 
ATOM      2  H   LIG    1        0.572  -1.803   0.669  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.011  -0.609  -0.052  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        2.173  -1.348  -1.149  0.00  0.00    -0.194 NA
ATOM      5  S   LIG    1        3.324  -0.643  -2.116  0.00  0.00    +0.025 S 
ATOM      6  C   LIG    1        3.630   0.655  -1.080  0.00  0.00    +0.100 A 
ATOM      7 CL   LIG    1        4.783   1.856  -1.463  0.00  0.00    -0.074 Cl
ATOM      8  C   LIG    1        2.838   0.558   0.035  0.00  0.00    +0.072 A 
ENDBRANCH   1   3
BRANCH   1   9
ATOM      9  C   LIG    1        0.401  -0.036   1.748  0.00  0.00    +0.114 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -0.673   0.724   0.979  0.00  0.00    +0.139 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.831  -0.165   0.605  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1       -1.982  -1.324   0.965  0.00  0.00    -0.251 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -3.837  -0.228  -0.603  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -2.702   0.530  -0.181  0.00  0.00    -0.468 OA
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 5