REMARK  Name = BDB045457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.463   0.246   0.520  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        2.092   0.177   0.813  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.177  -0.302  -0.132  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.652  -0.716  -1.377  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        3.019  -0.665  -1.671  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        3.926  -0.189  -0.725  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        5.607   1.215   1.186  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        6.156   1.671   1.904  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        5.827   1.436   0.226  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        4.375   0.765   1.574  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        4.028   0.825   2.747  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  N   LIG    1       -0.181  -0.331   0.248  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -0.376  -0.015   1.191  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -1.260  -0.769  -0.503  0.00  0.00    +0.221 C 
ATOM     15  O   LIG    1       -1.212  -1.231  -1.637  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.578  -0.640   0.252  0.00  0.00    +0.083 C 
ATOM     17  C   LIG    1       -3.776  -1.154  -0.551  0.00  0.00    +0.087 C 
ATOM     18  C   LIG    1       -4.902  -0.306  -0.025  0.00  0.00    +0.134 C 
ATOM     19  O   LIG    1       -6.084  -0.520  -0.258  0.00  0.00    -0.297 OA
ATOM     20  C   LIG    1       -4.416   0.826   0.837  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1       -2.923   0.823   0.545  0.00  0.00    +0.020 C 
ENDBRANCH  14  16
ENDBRANCH   3  12
TORSDOF 3