REMARK  Name = BDB042724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.000  -1.611   0.384  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        3.827  -1.307   0.202  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        3.408   0.099   0.137  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.057   0.387  -0.040  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.600   1.705  -0.132  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.259   2.012  -0.406  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        0.029   2.956  -0.101  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.714   1.030   0.098  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.359  -0.405  -0.380  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1        2.552   2.731  -0.102  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.902   2.438   0.090  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        4.789   3.441   0.137  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.118  -0.737  -0.164  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        1.509  -1.979  -0.155  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        4.343   1.130   0.217  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        2.832  -2.240   0.034  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        3.099  -3.219   0.067  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.292  -1.472   0.203  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.320  -1.842   1.561  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -0.281  -1.132   2.746  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -2.213  -2.820   2.013  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.088  -3.445   1.126  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.071  -3.095  -0.220  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.183  -2.120  -0.677  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1       -2.121   1.416  -0.339  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -2.430   1.789  -1.770  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -2.564   2.822  -0.685  0.00  0.00    +0.006 C 
ENDBRANCH   8  25
TORSDOF 2