REMARK  Name = BDB042736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.920  -2.255  -1.769  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        0.087  -1.092  -1.217  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1        0.516  -0.696   0.218  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -0.467   0.323   0.810  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.851   0.300   0.311  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.774   1.167   0.889  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.316   2.087   1.938  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -0.990   1.994   2.284  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -0.655   2.606   3.022  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -3.085   2.886   2.460  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.109   1.146   0.486  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.495   0.234  -0.485  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -5.777   0.183  -0.869  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.575  -0.637  -1.067  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -2.225  -0.589  -0.702  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1       -0.081   1.126   1.760  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1       -1.323  -1.512  -1.249  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -1.619  -1.847  -2.166  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1        1.963  -0.197   0.253  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        2.998  -0.909   0.885  0.00  0.00    +0.045 A 
ATOM     21 CL   LIG    1        2.736  -2.421   1.679  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        4.310  -0.420   0.876  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.612   0.782   0.239  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.602   1.501  -0.392  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.292   1.017  -0.387  0.00  0.00    +0.006 A 
ENDBRANCH   3  19
TORSDOF 1