REMARK  Name = BDB051455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.029   0.661   0.074  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.761   0.141  -0.241  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.684  -0.938  -1.118  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.341  -1.202  -1.220  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.930  -1.914  -1.802  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.650  -0.327  -0.414  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.800  -1.537  -1.708  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.052  -1.006  -1.382  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.499   0.484   0.189  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.171   0.075  -0.506  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.809  -0.299  -0.266  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.645  -1.300  -0.773  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.036  -1.226  -0.606  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.630  -0.151   0.071  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.792   0.848   0.581  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.403   0.772   0.415  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.077  -0.067   0.247  0.00  0.00    +0.167 A 
ATOM     18  O   LIG    1        5.818  -1.087  -0.279  0.00  0.00    -0.355 OA
ATOM     19  N   LIG    1        7.164  -0.867  -0.033  0.00  0.00    -0.086 NA
ATOM     20  C   LIG    1        7.213   0.284   0.639  0.00  0.00    +0.157 A 
ATOM     21  C   LIG    1        5.934   0.831   0.843  0.00  0.00    +0.072 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  25
ATOM     22  N   LIG    1       -5.168   1.735   1.911  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.160   2.458   2.619  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.580   0.846   2.156  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -4.162   1.817   0.983  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -3.441   2.802   0.925  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3