REMARK  Name = BDB010741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.263  -2.342  -0.278  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.120  -1.908  -0.187  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.847  -0.467  -0.277  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.533  -0.033  -0.166  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.203   1.325  -0.248  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1        0.140   1.706  -0.135  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1        0.366   2.694  -0.194  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        1.154   0.794   0.061  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        2.555   1.362   0.149  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1        3.657   0.314  -0.006  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1        3.348  -0.926   0.822  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1        2.018  -1.550   0.399  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        0.934  -0.534   0.162  0.00  0.00    -0.001 A 
ATOM     14  C   LIG    1       -2.241   2.247  -0.445  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -3.570   1.819  -0.556  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1       -1.883   4.108  -0.567  0.00  0.00    -0.048 Br
ATOM     17  C   LIG    1       -0.475  -1.040   0.041  0.00  0.00    +0.099 A 
ATOM     18  N   LIG    1       -0.730  -2.314   0.116  0.00  0.00    -0.171 NA
ATOM     19  C   LIG    1       -3.875   0.459  -0.473  0.00  0.00    +0.015 A 
ATOM     20  N   LIG    1       -2.027  -2.721   0.002  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1       -2.194  -3.720   0.066  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0