REMARK  Name = BDB054651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.890  -0.491   0.014  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1        0.143  -0.974   0.868  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.320  -2.210   1.282  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -1.518  -2.442   0.656  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -1.855  -1.406  -0.149  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -1.237   4.609  -2.674  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -1.129   3.285  -1.977  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -0.902   3.227  -0.597  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.838   1.995   0.060  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.000   0.803  -0.656  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.259   0.861  -2.030  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -1.325   2.094  -2.686  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1       -2.358  -3.586   0.764  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -2.016  -4.666   1.590  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.860  -5.777   1.675  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.045  -5.818   0.942  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.393  -4.748   0.121  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.554  -3.635   0.030  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   2  19
ATOM     19  C   LIG    1        1.414  -0.398   1.300  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        1.973   0.492   0.404  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.494   0.611  -0.479  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        1.915  -0.746   2.364  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.154   1.247   0.553  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        3.509   2.084  -0.514  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.661   2.875  -0.450  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        5.463   2.832   0.687  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1        7.019   3.898   0.780  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        5.121   2.008   1.755  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        3.967   1.218   1.688  0.00  0.00    +0.024 A 
ENDBRANCH  20  23
ENDBRANCH   2  19
TORSDOF 4