REMARK  Name = BDB029365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.972   1.928  -0.160  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.943   1.274  -0.164  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        2.653   1.789  -0.100  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        2.464   2.778  -0.042  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        1.707   0.777  -0.125  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.343  -0.458  -0.206  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.609  -1.625  -0.243  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.212  -1.521  -0.195  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.444  -0.265  -0.112  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        0.334   0.906  -0.077  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        3.828  -0.253  -0.240  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.913  -0.191  -0.063  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1       -2.629   0.586  -0.980  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -4.010   0.616  -0.886  0.00  0.00    +0.130 A 
ATOM     15 CL   LIG    1       -4.944   1.547  -1.982  0.00  0.00    -0.062 Cl
ATOM     16  N   LIG    1       -4.728  -0.052   0.037  0.00  0.00    -0.244 NA
ATOM     17  C   LIG    1       -4.025  -0.795   0.913  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1       -2.642  -0.896   0.903  0.00  0.00    +0.028 A 
ENDBRANCH   9  12
TORSDOF 1