REMARK  Name = BDB002039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.446   1.663  -0.978  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.736   1.387  -0.578  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1        2.143   0.509  -0.869  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.009   2.801  -1.008  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   8
ATOM      5  N   LIG    1       -2.632  -1.371  -1.173  0.00  0.00    -0.181 NA
ATOM      6  C   LIG    1       -2.546  -0.405  -2.294  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -1.749   0.824  -1.887  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -0.344   0.430  -1.411  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1       -0.440  -0.599  -0.278  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1       -1.307  -1.793  -0.665  0.00  0.00    +0.110 C 
BRANCH   5  11
ATOM     11  S   LIG    1       -3.887  -1.146  -0.048  0.00  0.00    +0.032 S 
ATOM     12  O   LIG    1       -5.015  -0.560  -0.741  0.00  0.00    -0.158 OA
ATOM     13  O   LIG    1       -3.325  -0.532   1.134  0.00  0.00    -0.158 OA
BRANCH  11  15
ATOM     14  C   LIG    1       -5.484  -2.912   1.297  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -4.314  -2.842   0.334  0.00  0.00    +0.182 C 
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        2.649   2.466  -0.274  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.834   1.969   0.514  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        4.908   1.285  -0.081  0.00  0.00    +0.048 A 
ATOM     19 CL   LIG    1        4.941   0.948  -1.776  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        5.982   0.833   0.689  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1        5.980   1.056   2.059  0.00  0.00    +0.125 A 
ATOM     22  F   LIG    1        7.008   0.620   2.798  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.926   1.716   2.676  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        3.854   2.168   1.907  0.00  0.00    +0.009 A 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5