REMARK  Name = BDB008425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.673  -0.081  -1.355  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -2.526  -0.025   0.180  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1       -1.764   1.267   0.605  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -0.306   1.101   0.360  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.371  -0.092   0.230  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.304  -1.352   0.329  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1        0.248  -2.511   0.185  0.00  0.00    -0.175 NA
ATOM      8  N   LIG    1        1.549  -2.787  -0.097  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        1.722  -3.787  -0.167  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        2.720  -2.082  -0.287  0.00  0.00    +0.275 A 
ATOM     11  C   LIG    1        2.833  -0.615  -0.249  0.00  0.00    +0.086 A 
ATOM     12  C   LIG    1        4.064   0.028  -0.456  0.00  0.00    +0.136 A 
ATOM     13  C   LIG    1        4.183   1.418  -0.438  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.072   2.231  -0.215  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        1.849   1.588  -0.009  0.00  0.00    +0.048 A 
ATOM     16  F   LIG    1        5.186  -0.671  -0.682  0.00  0.00    -0.205 F 
ATOM     17  O   LIG    1        3.732  -2.753  -0.508  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        1.719   0.194  -0.018  0.00  0.00    +0.024 A 
ATOM     19  N   LIG    1        0.597   2.118   0.226  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1        0.389   3.107   0.280  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1       -1.793  -1.301   0.688  0.00  0.00    +0.064 C 
ATOM     22  C   LIG    1       -3.939   0.012   0.792  0.00  0.00    +0.011 C 
ENDROOT
TORSDOF 0