REMARK  Name = BDB033988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.541   0.445  -1.125  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.890   2.892  -1.379  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.613   1.805  -0.590  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -0.602   1.892   0.424  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.038   2.808  -2.593  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -1.267   5.381  -1.488  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.979   4.186  -0.597  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.695  -0.536   0.054  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.803  -1.861  -0.297  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1       -1.033  -2.109  -1.250  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.745  -0.143   1.221  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -1.075  -2.881   0.695  0.00  0.00    +0.159 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.561  -3.115   0.834  0.00  0.00    +0.058 A 
ATOM     14  N   LIG    1       -3.153  -3.897  -0.107  0.00  0.00    -0.258 NA
ATOM     15  C   LIG    1       -4.488  -4.082  -0.006  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -5.273  -3.512   0.982  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -4.655  -2.700   1.925  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -3.281  -2.493   1.851  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.721   0.185  -1.957  0.00  0.00    +0.094 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.980   0.223  -1.143  0.00  0.00    +0.082 A 
ATOM     21  S   LIG    1        2.894   1.670  -1.006  0.00  0.00    -0.072 S 
ATOM     22  C   LIG    1        4.029   0.859   0.004  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        3.630  -0.471   0.155  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        4.418  -1.331   0.947  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        5.575  -0.841   1.565  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.947   0.488   1.396  0.00  0.00    +0.042 A 
ATOM     27 CL   LIG    1        7.375   1.071   2.165  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.188   1.364   0.616  0.00  0.00    +0.037 A 
ATOM     29  N   LIG    1        2.469  -0.821  -0.511  0.00  0.00    -0.244 NA
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7