REMARK  Name = BDB040889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.987  -1.634  -0.737  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -2.631  -0.887   0.258  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -2.010   0.094   1.010  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.007   0.637   1.847  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.181   0.036   1.644  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1       -2.882   1.729   2.842  0.00  0.00    +0.068 C 
ATOM      7  C   LIG    1       -0.565   0.414   0.891  0.00  0.00    +0.083 C 
ATOM      8  C   LIG    1        0.173  -0.805   0.311  0.00  0.00    +0.172 C 
ATOM      9  N   LIG    1       -3.940  -0.891   0.687  0.00  0.00    -0.250 N 
ATOM     10  C   LIG    1       -0.590  -1.477  -0.859  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        0.046  -1.938  -1.817  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.453   1.704   0.083  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1        0.281   2.775   0.633  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.445   3.970  -0.069  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -0.119   4.105  -1.329  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        0.039   5.251  -2.005  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -0.841   3.067  -1.901  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.004   1.869  -1.202  0.00  0.00    +0.007 A 
ENDBRANCH   7  12
BRANCH   8  19
ATOM     19  N   LIG    1        1.547  -0.530  -0.118  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        1.801  -0.885  -1.035  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        2.526  -0.170   0.776  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        2.309  -0.011   1.972  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.898  -0.001   0.224  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.990  -0.191   1.082  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        6.301  -0.032   0.613  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        7.467  -0.276   1.526  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        6.508   0.306  -0.730  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.423   0.513  -1.583  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.119   0.367  -1.109  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH   8  19
BRANCH   1  31
ATOM     30  C   LIG    1       -2.531  -3.946  -1.421  0.00  0.00    +0.025 C 
ATOM     31  C   LIG    1       -2.635  -2.463  -1.747  0.00  0.00    +0.112 C 
ENDBRANCH   1  31
BRANCH   9  32
ATOM     32  C   LIG    1       -5.052  -1.756   0.346  0.00  0.00    +0.142 C 
ATOM     33  C   LIG    1       -6.012  -1.109  -0.638  0.00  0.00    +0.029 C 
ENDBRANCH   9  32
TORSDOF 5