REMARK  Name = BDB043711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.697  -0.899   3.218  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.397  -0.724   2.236  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -0.960  -0.344   0.836  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        0.363  -0.259   0.603  0.00  0.00    +0.074 C 
ATOM      5  C   LIG    1        1.071   0.099  -0.707  0.00  0.00    +0.133 C 
ATOM      6  N   LIG    1        0.512   0.177  -1.871  0.00  0.00    -0.085 NA
ATOM      7  C   LIG    1        2.502   0.279  -0.329  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.592  -0.034   1.033  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        3.807  -0.009   1.691  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.941   0.384   0.975  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.847   0.726  -0.384  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.618   0.671  -1.050  0.00  0.00    +0.012 A 
ATOM     13  N   LIG    1        1.370  -0.446   1.542  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        1.139  -0.478   2.530  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -2.197  -0.169   0.052  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.256  -0.484   0.919  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1       -4.586  -0.434   0.530  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1       -4.875  -0.043  -0.774  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -3.833   0.295  -1.650  0.00  0.00    +0.002 A 
ATOM     20 BR   LIG    1       -5.987  -0.866   1.719  0.00  0.00    -0.048 Br
ATOM     21  C   LIG    1       -2.493   0.239  -1.237  0.00  0.00    +0.010 A 
ATOM     22  N   LIG    1       -2.771  -0.814   2.183  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1       -3.343  -1.047   2.981  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   6  24
ATOM     24  O   LIG    1        1.402   0.488  -2.898  0.00  0.00    -0.409 OA
ATOM     25  H   LIG    1        0.834   0.447  -3.689  0.00  0.00    +0.328 HD
ENDBRANCH   6  24
TORSDOF 1