REMARK  Name = BDB055659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.270  -2.102  -1.381  0.00  0.00    +0.085 A 
ATOM      2  N   LIG    1       -4.271  -1.265  -0.930  0.00  0.00    -0.346 N 
ATOM      3  H   LIG    1       -5.265  -1.435  -0.978  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.715  -0.147  -0.376  0.00  0.00    +0.140 A 
ATOM      5  N   LIG    1       -4.360   0.889   0.188  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -3.545   1.873   0.684  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -2.142   1.814   0.602  0.00  0.00    +0.108 A 
ATOM      8  C   LIG    1       -1.559   0.720  -0.015  0.00  0.00    +0.081 A 
ATOM      9  N   LIG    1       -0.224   0.909   0.012  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.031   2.091   0.698  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1       -1.163   2.667   1.044  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -2.350  -0.278  -0.498  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -2.044  -1.510  -1.120  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        0.848   0.078  -0.528  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1        1.315  -0.945   0.522  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        2.652  -1.565   0.137  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        3.765  -0.520   0.050  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        3.260   0.890  -0.261  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1        2.022   0.872  -1.152  0.00  0.00    +0.025 C 
ENDBRANCH   9  14
TORSDOF 1