REMARK  Name = BDB000618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.348   0.386   0.047  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.497  -0.721   0.036  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.859  -0.465  -0.025  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.990  -1.394  -0.052  0.00  0.00    +0.249 C 
ATOM      5  C   LIG    1       -3.256  -0.492  -0.123  0.00  0.00    +0.289 C 
ATOM      6  N   LIG    1       -2.778   0.804  -0.132  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -3.384   1.610  -0.174  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -4.406  -0.867  -0.163  0.00  0.00    -0.266 OA
ATOM      9  O   LIG    1       -1.943  -2.601  -0.023  0.00  0.00    -0.282 OA
ATOM     10  C   LIG    1       -1.388   0.823  -0.075  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -0.567   1.926  -0.065  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        0.813   1.694  -0.003  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.315  -0.949   0.157  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        2.715   0.340   0.104  0.00  0.00    -0.495 OA
ENDBRANCH   1  14
TORSDOF 1