REMARK  Name = BDB000809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.066   0.074  -0.225  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.132   0.802  -0.146  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -1.377   0.199  -0.390  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.390  -1.164  -0.707  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.204  -1.900  -0.790  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.023  -1.285  -0.549  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.341   0.792   0.045  0.00  0.00    +0.339 C 
ATOM      8  O   LIG    1        2.401   1.984   0.301  0.00  0.00    -0.245 OA
BRANCH   7   9
ATOM      9  O   LIG    1        3.395  -0.058  -0.034  0.00  0.00    -0.461 OA
BRANCH   9  11
ATOM     10  C   LIG    1        5.737  -0.507   0.094  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1        4.665   0.558   0.216  0.00  0.00    +0.229 C 
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  12
ATOM     12  N   LIG    1       -2.531   0.990  -0.247  0.00  0.00    -0.294 N 
ATOM     13  H   LIG    1       -2.405   1.940  -0.581  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.825   0.649  -0.043  0.00  0.00    +0.163 A 
ATOM     15  S   LIG    1       -4.365  -0.760   0.809  0.00  0.00    -0.045 S 
ATOM     16  C   LIG    1       -5.970  -0.265   0.604  0.00  0.00    +0.076 A 
ATOM     17 BR   LIG    1       -7.483  -1.239   1.224  0.00  0.00    -0.041 Br
ATOM     18  C   LIG    1       -6.030   0.932  -0.057  0.00  0.00    +0.136 A 
ATOM     19  N   LIG    1       -4.800   1.459  -0.409  0.00  0.00    -0.232 NA
ENDBRANCH  12  14
ENDBRANCH   3  12
TORSDOF 5