REMARK  Name = BDB000631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.784  -0.180   0.024  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -0.566  -0.375  -0.219  0.00  0.00    +0.087 A 
ATOM      3  N   LIG    1       -1.170  -1.516  -0.749  0.00  0.00    -0.275 N 
ATOM      4  H   LIG    1       -0.672  -2.351  -1.023  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.535  -1.355  -0.852  0.00  0.00    +0.289 C 
ATOM      6  C   LIG    1       -2.817   0.077  -0.313  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -3.885   0.634  -0.221  0.00  0.00    -0.282 OA
ATOM      8  O   LIG    1       -3.357  -2.141  -1.266  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -1.506   0.612   0.061  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -1.162   1.836   0.593  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        0.194   2.054   0.846  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        1.158   1.057   0.564  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.002  -1.023  -0.043  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        1.614  -1.216  -0.290  0.00  0.00    -0.493 OA
ENDBRANCH   1  14
TORSDOF 1