REMARK  Name = BDB049713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.341  -0.777  -0.370  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.757  -0.563  -0.150  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -3.311  -0.343   1.097  0.00  0.00    +0.259 A 
ATOM      4  O   LIG    1       -2.743  -0.382   2.177  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -4.746  -0.025   0.967  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1       -5.104   0.012  -0.317  0.00  0.00    +0.100 A 
ATOM      7 CL   LIG    1       -6.692   0.363  -0.840  0.00  0.00    -0.074 Cl
ATOM      8  S   LIG    1       -3.837  -0.323  -1.440  0.00  0.00    +0.004 S 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1       -0.565   0.541  -0.419  0.00  0.00    +0.023 C 
BRANCH   9  10
ATOM     10  C   LIG    1        0.929   0.352  -0.691  0.00  0.00    +0.013 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.667  -0.338   0.451  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.144  -0.397   0.157  0.00  0.00    +0.307 C 
ATOM     13  O   LIG    1        3.672  -1.270  -0.519  0.00  0.00    -0.251 OA
BRANCH  12  15
ATOM     14  C   LIG    1        5.190   0.696   0.459  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        3.784   0.668   0.711  0.00  0.00    -0.468 OA
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 6