REMARK  Name = BDB042793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.955   3.525  -0.183  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.280   2.528  -0.414  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.329   1.356   0.470  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.547   0.251   0.154  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.600  -0.925   0.914  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.794  -2.036   0.626  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -1.182  -2.909   0.982  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.348  -2.127  -0.768  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        0.280  -0.823  -1.287  0.00  0.00    +0.087 C 
ATOM     10  C   LIG    1       -2.390  -0.921   2.067  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.160   0.197   2.391  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -3.927   0.167   3.489  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.660   0.343  -1.014  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -0.634   1.377  -1.805  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.149   1.336   1.597  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -1.453   2.427  -1.509  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -1.397   3.233  -2.124  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.698  -0.509  -0.817  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1        2.208  -0.920   0.423  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        3.510  -0.587   0.801  0.00  0.00    +0.142 A 
ATOM     21  F   LIG    1        3.958  -1.007   1.994  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        4.325   0.164  -0.039  0.00  0.00    +0.076 A 
ATOM     23 CL   LIG    1        5.931   0.574   0.426  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        3.835   0.593  -1.269  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        2.532   0.260  -1.652  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
TORSDOF 1