REMARK  Name = BDB033508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.701   1.053  -0.785  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.120  -0.252  -0.504  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.102  -0.536   0.448  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -2.262  -1.951   0.465  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -1.404  -2.488  -0.466  0.00  0.00    +0.103 A 
ATOM      6 CL   LIG    1       -3.334  -2.815   1.461  0.00  0.00    -0.081 Cl
ATOM      7  C   LIG    1       -2.691   0.538   1.148  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.284   1.849   0.872  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.729  -1.454  -1.054  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -0.041  -1.540  -1.790  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.300   2.102  -0.082  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.356   1.285  -1.722  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1        0.154   2.074  -2.340  0.00  0.00    +0.174 HD
BRANCH  12  15
ATOM     14  O   LIG    1        1.749   2.688  -0.093  0.00  0.00    -0.149 OA
ATOM     15  S   LIG    1        1.887   1.597  -1.034  0.00  0.00    +0.080 S 
ATOM     16  O   LIG    1        2.821   1.687  -2.135  0.00  0.00    -0.149 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.379   0.210  -0.074  0.00  0.00    +0.165 A 
ATOM     18  S   LIG    1        2.861  -1.211  -0.901  0.00  0.00    -0.055 S 
ATOM     19  C   LIG    1        3.137  -1.974   0.610  0.00  0.00    +0.157 A 
ATOM     20  N   LIG    1        2.885  -1.252   1.679  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        2.452   0.001   1.286  0.00  0.00    +0.147 A 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3