REMARK  Name = BDB001021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.061  -0.014   0.158  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        3.023  -0.395   1.016  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.714  -0.227   0.591  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        0.439  -0.535   1.332  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1       -0.585  -0.132   0.306  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -2.038  -0.185   0.419  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -2.807   0.249  -0.681  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.205   0.220  -0.628  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.843  -0.242   0.522  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.088  -0.673   1.615  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.122   0.744  -1.916  0.00  0.00    +0.257 A 
ATOM     12  O   LIG    1       -2.752   1.131  -2.894  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1       -0.741   0.743  -1.897  0.00  0.00    -0.321 N 
ATOM     14  H   LIG    1       -0.277   1.077  -2.731  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1       -2.691  -0.645   1.566  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -0.026   0.321  -0.824  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        1.418   0.274  -0.688  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.432   0.601  -1.568  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.756   0.433  -1.142  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  20
ATOM     20  N   LIG    1        5.391  -0.283   0.508  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1        6.069   0.283   0.008  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        5.559  -0.290   1.509  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
TORSDOF 1