REMARK  Name = BDB010744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.933  -2.216  -0.370  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.776  -1.823  -0.265  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.466  -0.388  -0.187  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.140  -0.005  -0.068  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.773   1.352   0.018  0.00  0.00    +0.049 A 
ATOM      6  N   LIG    1        0.583   1.704   0.101  0.00  0.00    -0.358 N 
ATOM      7  H   LIG    1        0.847   2.663   0.285  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        1.533   0.723   0.169  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        2.994   0.984   0.329  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        3.610  -0.385   0.008  0.00  0.00    +0.011 C 
ATOM     11  C   LIG    1        2.502  -1.426   0.209  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        1.283  -0.589   0.111  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -1.778   2.320  -0.043  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.120   1.938  -0.162  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.108  -1.064  -0.024  0.00  0.00    +0.099 A 
ATOM     16  N   LIG    1       -0.387  -2.331  -0.092  0.00  0.00    -0.171 NA
ATOM     17  C   LIG    1       -3.467   0.586  -0.233  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -1.702  -2.683  -0.212  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1       -1.898  -3.678  -0.264  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0