REMARK  Name = BDB018929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.669  -1.468  -0.150  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.692  -1.062  -0.157  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.728  -1.927   0.237  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.064  -1.490   0.217  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.405  -0.206  -0.233  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.391   0.661  -0.665  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.436  -3.326   0.710  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.083  -3.796   0.204  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.055   0.211  -0.635  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.964  -2.744   0.533  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  22
ATOM     11  C   LIG    1       -2.865   2.426   2.054  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -2.913   1.339   1.028  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -3.983   1.122   0.172  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1       -5.218   1.783   0.017  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1       -5.956   1.160  -1.015  0.00  0.00    +0.330 A 
ATOM     16  N   LIG    1       -5.158   0.104  -1.487  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -5.506  -0.793  -2.551  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1       -7.065   1.475  -1.417  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -5.686   2.920   0.752  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -3.957   0.080  -0.767  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -2.886  -0.781  -0.898  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1       -1.787  -0.590  -0.052  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -1.817   0.460   0.900  0.00  0.00    +0.029 A 
ENDBRANCH   1  22
BRANCH   5  24
ATOM     24  C   LIG    1        4.802   0.174  -0.245  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.603   0.225   0.877  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.834   0.626   0.444  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.015   0.828   1.246  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.890   0.844  -0.882  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.655   0.557  -1.303  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1        2.684   2.049  -1.174  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        1.579   2.849  -1.224  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        3.183   2.041  -2.442  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 3