REMARK  Name = BDB029380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.358   0.654  -1.850  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.280   0.437  -1.322  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        4.054   0.370  -1.973  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        3.957   0.493  -2.970  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        3.025   0.107  -1.084  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.538  -0.009   0.207  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.708  -0.282   1.278  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.339  -0.428   1.025  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.827  -0.290  -0.287  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        1.684  -0.032  -1.365  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        5.025   0.190   0.170  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -0.627  -0.448  -0.572  0.00  0.00    +0.248 C 
ATOM     13  N   LIG    1       -1.468   0.065   0.399  0.00  0.00    -0.282 N 
ATOM     14  H   LIG    1       -1.040   0.589   1.150  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -0.952  -0.972  -1.631  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -2.878   0.022   0.418  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -3.652  -0.646  -0.532  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -5.048  -0.645  -0.437  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.681   0.021   0.609  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.919   0.688   1.564  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.524   0.687   1.469  0.00  0.00    +0.023 A 
ENDBRANCH  13  16
ENDBRANCH   9  12
TORSDOF 2