REMARK  Name = BDB047632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.058  -0.902   0.503  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.704  -0.185   0.465  0.00  0.00    -0.001 C 
ATOM      3  C   LIG    1        0.688  -1.044  -0.283  0.00  0.00    +0.040 C 
ATOM      4  C   LIG    1       -0.753  -0.604  -0.234  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -1.240   0.681   0.043  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.636   0.884   0.085  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -3.541  -0.144  -0.177  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.066  -1.406  -0.487  0.00  0.00    +0.000 A 
ATOM      9  N   LIG    1       -0.492   1.841   0.301  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.021   2.664   0.566  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.825   2.150   0.231  0.00  0.00    +0.217 C 
ATOM     12  O   LIG    1        1.165   3.303   0.513  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.691  -1.629  -0.516  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.844   1.155  -0.238  0.00  0.00    +0.099 C 
ENDROOT
TORSDOF 0