REMARK  Name = BDB059685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.550   1.122   0.183  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -2.024   1.276   0.450  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -2.595   2.354   0.554  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -2.727   0.063   0.576  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.154  -1.192   0.480  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -3.168  -2.100   0.659  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.319  -1.317   0.857  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -0.824  -1.270   0.251  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.327  -2.159   0.164  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.068  -0.005   0.810  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.047  -0.133   0.109  0.00  0.00    +0.056 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.384  -0.378  -0.138  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.879  -0.420  -1.448  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.235  -0.661  -1.678  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.100  -0.864  -0.603  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.612  -0.829   0.703  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.257  -0.588   0.936  0.00  0.00    +0.010 A 
ENDBRANCH  11  12
BRANCH   1  19
ATOM     18  C   LIG    1        0.064   3.051  -1.310  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        0.224   2.411   0.062  0.00  0.00    +0.039 C 
ENDBRANCH   1  19
BRANCH   6  20
ATOM     20  C   LIG    1       -3.069  -3.517   0.646  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -2.978  -4.674   0.634  0.00  0.00    -0.191 NA
ENDBRANCH   6  20
TORSDOF 3