REMARK  Name = BDB045466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.747   0.654  -0.309  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.710  -0.365  -0.426  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        3.048  -0.085  -0.753  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        3.436   1.232  -1.001  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        2.502   2.257  -0.903  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.176   1.969  -0.559  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.318  -1.865   1.233  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -2.516  -0.719   0.743  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1       -1.066  -0.845   0.505  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -0.471  -1.885   0.742  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -0.608   0.362   0.045  0.00  0.00    -0.203 N 
ATOM     12  C   LIG    1       -1.653   1.246   0.003  0.00  0.00    +0.254 C 
ATOM     13  O   LIG    1       -1.698   2.418  -0.336  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.866   0.534   0.449  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -4.181   1.216   0.506  0.00  0.00    +0.049 C 
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  C   LIG    1        4.076  -1.154  -0.872  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1        5.126  -0.969  -1.475  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        3.830  -2.349  -0.254  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.587  -3.020  -0.261  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        3.102  -2.478   0.434  0.00  0.00    +0.145 HD
ENDBRANCH   3  16
TORSDOF 2