REMARK  Name = BDB063006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.013  -2.559   0.455  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.617  -2.026   0.448  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -1.312  -0.595   0.174  0.00  0.00    +0.094 A 
ATOM      4  N   LIG    1       -0.137  -0.057   0.265  0.00  0.00    -0.168 NA
ATOM      5  N   LIG    1        0.925  -0.859   0.617  0.00  0.00    -0.226 N 
ATOM      6  C   LIG    1        0.815  -2.233   0.786  0.00  0.00    +0.268 A 
ATOM      7  O   LIG    1        1.754  -3.001   0.988  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1       -0.554  -2.784   0.738  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.258  -0.241   0.602  0.00  0.00    +0.113 C 
ATOM     10  C   LIG    1        2.272   1.194   1.143  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1        3.683   1.771   1.082  0.00  0.00    +0.083 C 
ATOM     12  N   LIG    1        4.225   1.724  -0.276  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1        5.169   2.109  -0.278  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        4.255   0.359  -0.802  0.00  0.00    +0.083 C 
ATOM     15  C   LIG    1        2.869  -0.278  -0.803  0.00  0.00    +0.042 C 
ENDBRANCH   5   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.435   0.286  -0.216  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -2.806   1.327   0.640  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -3.854   2.173   0.280  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.516   1.987  -0.935  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.127   0.960  -1.798  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.080   0.110  -1.444  0.00  0.00    +0.010 A 
ENDBRANCH   3  16
TORSDOF 2