REMARK  Name = BDB061923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 BR   LIG    1       -4.929   0.405   0.971  0.00  0.00    -0.050 Br
ATOM      2  C   LIG    1       -3.112   0.938   0.799  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.183   0.204   0.038  0.00  0.00    -0.027 A 
ATOM      4  C   LIG    1       -2.584  -1.041  -0.720  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -1.557  -1.435  -1.782  0.00  0.00    +0.086 C 
ATOM      6  N   LIG    1       -0.211  -1.490  -1.220  0.00  0.00    -0.305 NA
ATOM      7  H   LIG    1       -0.211  -2.097  -0.402  0.00  0.00    +0.123 HD
ATOM      8  C   LIG    1        0.227  -0.150  -0.790  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1       -0.831   0.623   0.009  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -0.473   1.815   0.669  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.410   2.544   1.398  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.726   2.099   1.472  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.569  -0.298  -0.072  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1        2.762   0.010  -0.745  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.997  -0.132  -0.109  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.057  -0.592   1.205  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        2.884  -0.916   1.883  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        1.648  -0.776   1.249  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
TORSDOF 1