REMARK  Name = BDB057209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.001  -0.547  -0.913  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -0.224  -1.358  -2.166  0.00  0.00    +0.270 A 
ATOM      3  O   LIG    1        0.724  -1.690  -2.875  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1       -1.522  -1.697  -2.453  0.00  0.00    -0.327 N 
ATOM      5  H   LIG    1       -1.663  -2.245  -3.293  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -2.594  -1.343  -1.673  0.00  0.00    +0.094 A 
ATOM      7  C   LIG    1       -2.423  -0.618  -0.552  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.072  -0.219  -0.176  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.609  -0.272   0.252  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -3.768  -0.805   1.533  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.895  -0.453   2.256  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -5.854   0.378   1.796  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -5.673   0.890   0.560  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.582   0.600  -0.242  0.00  0.00    +0.028 A 
ENDBRANCH   7   9
BRANCH   1  17
ATOM     15  O   LIG    1        1.173   1.073   1.261  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.829   0.518   0.388  0.00  0.00    +0.249 C 
ATOM     17  N   LIG    1        1.320  -0.228  -0.654  0.00  0.00    -0.277 N 
ATOM     18  H   LIG    1        1.954  -0.565  -1.376  0.00  0.00    +0.155 HD
BRANCH  16  19
ATOM     19  C   LIG    1        3.311   0.666   0.412  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        3.850   1.834   0.969  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1        5.230   2.001   1.016  0.00  0.00    +0.127 A 
ATOM     22  F   LIG    1        5.739   3.123   1.541  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        6.088   1.027   0.528  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1        5.546  -0.134  -0.006  0.00  0.00    +0.127 A 
ATOM     25  F   LIG    1        6.364  -1.090  -0.467  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.169  -0.330  -0.069  0.00  0.00    +0.051 A 
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 3