REMARK  Name = BDB053225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.981  -0.690   0.619  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        2.068   0.025   0.055  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        3.385  -0.369   0.390  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        4.547   0.365  -0.179  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1        4.255   1.408  -1.026  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1        5.058   1.895  -1.408  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1        2.990   1.788  -1.368  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1        5.705   0.064   0.089  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        3.631  -1.440   1.254  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.562  -2.135   1.800  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.915   1.159  -0.880  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.253  -1.760   1.488  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1       -1.628  -2.049   1.222  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.524  -0.959   0.676  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1       -0.355  -0.304   0.327  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -0.468   0.504  -0.264  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1       -2.775  -0.251   0.282  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -3.868  -1.015  -0.151  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1       -5.056  -0.385  -0.526  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -5.149   1.000  -0.455  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -6.289   1.605  -0.813  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.079   1.770  -0.009  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -2.887   1.146   0.366  0.00  0.00    +0.016 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2