REMARK  Name = BDB033464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.810   0.619   2.194  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.449   0.353   0.978  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.768  -0.942   0.555  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -2.384  -0.805  -0.729  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -2.435   0.537  -1.040  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -1.440  -2.038   1.399  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -1.733  -3.471   1.041  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.793  -1.762   2.623  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1       -1.881   1.226   0.002  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -1.789   2.232   0.062  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -0.480  -0.460   3.010  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.433   1.956   2.536  0.00  0.00    -0.211 N 
ATOM     13  H   LIG    1       -0.573   2.149   3.530  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.193   2.364   2.201  0.00  0.00    +0.107 S 
ATOM     15  O   LIG    1        1.307   3.788   2.437  0.00  0.00    -0.147 OA
ATOM     16  O   LIG    1        2.057   1.423   2.878  0.00  0.00    -0.147 OA
BRANCH  14  19
ATOM     17  C   LIG    1        1.732   1.184  -1.467  0.00  0.00    +0.198 A 
ATOM     18  O   LIG    1        1.534   0.919  -0.144  0.00  0.00    -0.421 OA
ATOM     19  C   LIG    1        1.490   2.159   0.469  0.00  0.00    +0.281 A 
ATOM     20  C   LIG    1        1.688   3.080  -0.543  0.00  0.00    +0.182 A 
ATOM     21  N   LIG    1        1.822   2.463  -1.760  0.00  0.00    -0.220 NA
BRANCH  17  23
ATOM     22  C   LIG    1        3.197  -0.593  -2.392  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        1.803   0.011  -2.373  0.00  0.00    +0.093 C 
ENDBRANCH  17  23
ENDBRANCH  14  19
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -2.870  -1.846  -1.581  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -3.259  -2.691  -2.275  0.00  0.00    -0.191 NA
ENDBRANCH   4  24
TORSDOF 5