REMARK  Name = BDB049715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.190  -0.393  -1.003  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.487   0.025  -0.506  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1       -3.146  -0.601   0.534  0.00  0.00    +0.259 A 
ATOM      4  O   LIG    1       -2.797  -1.606   1.132  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -4.377   0.138   0.875  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1       -4.489   1.234   0.123  0.00  0.00    +0.100 A 
ATOM      7 CL   LIG    1       -5.788   2.336   0.256  0.00  0.00    -0.074 Cl
ATOM      8  S   LIG    1       -3.212   1.476  -1.012  0.00  0.00    +0.004 S 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1       -0.052   0.123  -0.132  0.00  0.00    +0.143 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.275  -0.335  -0.674  0.00  0.00    +0.309 C 
ATOM     11  O   LIG    1        1.438  -0.941  -1.723  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        2.270   0.045   0.176  0.00  0.00    -0.465 OA
BRANCH  12  14
ATOM     13  C   LIG    1        4.576   0.141   0.795  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.584  -0.341  -0.246  0.00  0.00    +0.229 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 5