REMARK  Name = BDB049187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.091  -0.242  -0.155  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1       -0.545  -0.990   0.374  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        5.538   0.171   0.134  0.00  0.00    +0.176 C 
ATOM      4  N   LIG    1        4.100  -0.019   0.077  0.00  0.00    -0.231 N 
ATOM      5  C   LIG    1        3.515  -1.134   0.669  0.00  0.00    +0.287 A 
ATOM      6  O   LIG    1        4.158  -2.010   1.246  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1        2.029  -1.210   0.567  0.00  0.00    +0.129 A 
ATOM      8 CL   LIG    1        1.264  -2.598   1.275  0.00  0.00    -0.076 Cl
ATOM      9  C   LIG    1        1.294  -0.254  -0.022  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        2.106   0.861  -0.573  0.00  0.00    +0.157 A 
ATOM     11  N   LIG    1        3.392   0.987  -0.529  0.00  0.00    -0.175 NA
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1       -0.932   0.917  -0.386  0.00  0.00    +0.137 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.382   0.502  -0.329  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.977  -0.143  -1.426  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.312  -0.547  -1.369  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1       -5.050  -0.313  -0.216  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1       -6.331  -0.701  -0.162  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -4.478   0.314   0.885  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -3.143   0.718   0.832  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 3