REMARK  Name = BDB000076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.357  -3.319   0.175  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.214  -2.920   0.093  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1       -0.760  -1.529   0.079  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.520  -0.354   0.154  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -0.777   0.817   0.114  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        0.774   0.784  -0.005  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        1.464  -0.416  -0.076  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        2.849  -0.075  -0.177  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.935   1.325  -0.164  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.154   2.013  -0.247  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.319   1.250  -0.348  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        5.276  -0.140  -0.365  0.00  0.00    +0.016 A 
ATOM     13 BR   LIG    1        6.991   2.131  -0.464  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1        4.049  -0.810  -0.281  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        1.653   1.819  -0.058  0.00  0.00    -0.352 N 
ATOM     16  H   LIG    1        1.419   2.801  -0.026  0.00  0.00    +0.166 HD
ATOM     17  N   LIG    1       -1.610   1.887   0.194  0.00  0.00    -0.352 N 
ATOM     18  H   LIG    1       -1.336   2.859   0.187  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -2.913   1.447   0.288  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -4.099   2.185   0.390  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.300   1.478   0.472  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.313   0.087   0.452  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.119  -0.637   0.350  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.888   0.046   0.265  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        0.653  -1.559  -0.030  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        1.046  -2.966  -0.081  0.00  0.00    +0.260 A 
ATOM     27  O   LIG    1        2.172  -3.410  -0.174  0.00  0.00    -0.267 OA
ATOM     28  N   LIG    1       -0.100  -3.693  -0.004  0.00  0.00    -0.289 N 
ATOM     29  H   LIG    1       -0.122  -4.700  -0.016  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0