REMARK  Name = BDB028202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.813   0.835  -0.761  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.821  -0.218  -0.422  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.316  -1.462  -0.048  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.441  -2.501   0.284  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.062  -2.288   0.237  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.466  -1.041  -0.139  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.771  -1.675  -0.003  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.248  -2.757   0.322  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.549  -0.598  -0.346  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.557  -0.726  -0.322  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.435  -0.009  -0.467  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.099   0.631  -0.718  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.919  -0.821  -0.187  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.529   0.249   0.482  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.918   0.428   0.429  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        4.656  -0.480  -0.315  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        4.113  -1.519  -0.984  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.769  -1.666  -0.902  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  C   LIG    1        4.596   1.577   1.110  0.00  0.00    +0.373 C 
ATOM     20  F   LIG    1        5.824   1.253   1.600  0.00  0.00    -0.204 F 
ATOM     21  F   LIG    1        3.890   2.059   2.170  0.00  0.00    -0.204 F 
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  22
ATOM     22  C   LIG    1       -2.296   2.215  -1.178  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.405   3.131  -1.464  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -3.999   2.687  -2.169  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -4.011   3.151  -0.639  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4