REMARK  Name = BDB064064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.815   1.242  -0.241  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1        3.448   0.811  -0.116  0.00  0.00    -0.224 N 
ATOM      3  C   LIG    1        2.981  -0.424  -0.493  0.00  0.00    +0.268 C 
ATOM      4  O   LIG    1        3.581  -1.352  -1.002  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.532  -0.403  -0.122  0.00  0.00    +0.098 C 
ATOM      6  C   LIG    1        0.681  -1.417  -0.306  0.00  0.00    +0.038 C 
ATOM      7  N   LIG    1        1.292   0.810   0.452  0.00  0.00    -0.265 N 
ATOM      8  H   LIG    1        0.414   1.116   0.847  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        2.455   1.562   0.478  0.00  0.00    +0.313 C 
ATOM     10  O   LIG    1        2.555   2.679   0.956  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.701  -1.435   0.043  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.720  -0.478  -0.253  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.899  -0.952   0.327  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -4.113  -0.258   0.254  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.128   0.953  -0.443  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.975   1.446  -1.048  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -2.607  -2.159   0.920  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -3.279  -2.735   1.408  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -1.770   0.740  -0.966  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -1.285  -2.470   0.739  0.00  0.00    +0.091 A 
ENDBRANCH   6  11
TORSDOF 1