REMARK  Name = BDB051218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.805  -0.858  -1.218  0.00  0.00    +0.196 A 
ATOM      2  N   LIG    1        1.925  -2.105  -0.746  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        2.579  -2.254   0.414  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1        3.109  -1.169   1.086  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1        2.928   0.087   0.535  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.285   0.244  -0.628  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.745  -3.553   0.933  0.00  0.00    -0.315 N 
ATOM      8  C   LIG    1        2.721  -3.934   2.316  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1        2.448  -5.361   1.827  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        1.962  -4.691   0.538  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  N   LIG    1        3.494   1.197   1.217  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1        3.405   1.085   2.222  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.630   2.445   0.700  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        3.877   3.522   1.510  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        3.976   3.531   2.517  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1        3.999   4.689   0.856  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        3.830   4.350  -0.428  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        3.894   5.381  -1.490  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        3.607   2.962  -0.576  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  S   LIG    1        0.927  -0.642  -2.747  0.00  0.00    -0.050 S 
BRANCH  20  24
ATOM     21  C   LIG    1       -3.370  -0.205  -1.163  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -2.995  -1.313  -1.933  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -1.686  -1.443  -2.410  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -0.731  -0.467  -2.122  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -1.106   0.646  -1.364  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -2.416   0.774  -0.885  0.00  0.00    +0.024 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.301   0.820   0.069  0.00  0.00    +0.217 C 
ATOM     28  N   LIG    1       -4.708  -0.153  -0.721  0.00  0.00    -0.286 N 
ATOM     29  H   LIG    1       -5.299  -0.922  -1.011  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1       -4.756   1.810   0.541  0.00  0.00    -0.275 OA
BRANCH  27  32
ATOM     31  C   LIG    1       -7.457   1.563   1.165  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -6.773   0.513   0.307  0.00  0.00    +0.093 C 
ENDBRANCH  27  32
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7