REMARK  Name = BDB062559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.553  -0.267  -2.388  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1       -0.664  -0.080  -1.148  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1       -1.979   0.148  -0.533  0.00  0.00    -0.203 N 
ATOM      4  C   LIG    1       -1.781   0.320   0.842  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -2.936   0.556   1.635  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -4.148   0.603   1.045  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -4.307   0.417  -0.392  0.00  0.00    +0.059 A 
ATOM      8 CL   LIG    1       -5.882   0.491  -1.071  0.00  0.00    -0.082 Cl
ATOM      9  N   LIG    1       -0.484   0.222   1.137  0.00  0.00    -0.205 NA
ATOM     10  C   LIG    1       -3.223   0.194  -1.153  0.00  0.00    +0.136 A 
ATOM     11  C   LIG    1        0.194  -0.024  -0.096  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.641  -0.188  -0.160  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.383  -0.100   1.030  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.774  -0.250   1.029  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.439  -0.490  -0.168  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        6.317  -0.693  -0.178  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.725  -0.581  -1.360  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.333  -0.431  -1.355  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
TORSDOF 1