REMARK  Name = BDB000617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.049  -0.090  -0.177  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.565   0.118  -0.079  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1        0.689  -0.960  -0.275  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -0.662  -0.711  -0.141  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.808  -1.610  -0.286  0.00  0.00    +0.249 C 
ATOM      6  C   LIG    1       -3.055  -0.725  -0.005  0.00  0.00    +0.289 C 
ATOM      7  N   LIG    1       -2.555   0.534   0.263  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1       -3.146   1.322   0.485  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -4.212  -1.082  -0.023  0.00  0.00    -0.266 OA
ATOM     10  O   LIG    1       -1.786  -2.787  -0.564  0.00  0.00    -0.282 OA
ATOM     11  C   LIG    1       -1.166   0.545   0.186  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -0.327   1.617   0.396  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.050   1.392   0.266  0.00  0.00    +0.005 A 
ENDROOT
TORSDOF 0