REMARK  Name = BDB008431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.641   3.145  -0.524  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        0.767   1.744  -0.186  0.00  0.00    -0.346 N 
ATOM      3  C   LIG    1        1.968   1.068  -0.055  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.660  -0.253   0.296  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        2.683  -1.180   0.492  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        2.403  -2.581   0.843  0.00  0.00    +0.272 A 
ATOM      7  N   LIG    1        1.143  -3.115   1.014  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        1.200  -4.101   1.255  0.00  0.00    +0.192 HD
ATOM      9  N   LIG    1       -0.140  -2.668   0.975  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -0.559  -1.478   0.694  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -2.067  -1.219   0.758  0.00  0.00    +0.064 C 
ATOM     12  C   LIG    1       -2.558  -0.113  -0.217  0.00  0.00    -0.024 C 
ATOM     13  C   LIG    1       -1.728   1.193  -0.043  0.00  0.00    +0.060 C 
ATOM     14  C   LIG    1       -2.469  -0.618  -1.673  0.00  0.00    +0.011 C 
ATOM     15  C   LIG    1       -4.035   0.197   0.089  0.00  0.00    +0.011 C 
ATOM     16  O   LIG    1        3.366  -3.342   0.993  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        4.015  -0.751   0.335  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        4.312   0.566  -0.013  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        0.267  -0.351   0.371  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.294   1.498  -0.217  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -0.271   0.877   0.041  0.00  0.00    +0.029 A 
ENDROOT
TORSDOF 0