REMARK  Name = BDB044045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.930   0.010   0.287  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -0.367  -0.447   0.111  0.00  0.00    +0.144 A 
ATOM      3  O   LIG    1       -0.779  -1.753   0.200  0.00  0.00    -0.483 OA
ATOM      4  C   LIG    1       -2.207  -1.750  -0.043  0.00  0.00    +0.308 C 
ATOM      5  C   LIG    1       -2.574  -0.322  -0.334  0.00  0.00    +0.204 C 
ATOM      6  O   LIG    1       -3.666   0.132  -0.620  0.00  0.00    -0.288 OA
ATOM      7  C   LIG    1       -1.366   0.449  -0.215  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -1.157   1.806  -0.382  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        0.142   2.277  -0.203  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.180   1.387   0.132  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.249  -0.669   0.107  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.360  -0.077  -0.703  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.956  -1.376   0.272  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        2.023  -0.916   0.665  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        1.857  -1.855   1.429  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
TORSDOF 1