REMARK  Name = BDB014044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.610   0.022   0.096  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1        2.501   1.150   0.862  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        1.145   1.433   0.954  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1        0.810   2.608   1.638  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1        1.795   3.334   2.211  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        3.067   2.918   2.077  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1        0.526   0.359   0.261  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1        3.514   1.850   1.404  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1        1.418  -0.461  -0.317  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.980  -0.004   0.092  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1       -1.385  -1.030  -0.725  0.00  0.00    -0.351 N 
ATOM     12  H   LIG    1       -0.748  -1.603  -1.264  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1       -2.752  -1.143  -0.709  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -3.234  -0.181   0.177  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -4.624  -0.101   0.393  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -5.470  -0.978  -0.293  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -4.973  -1.927  -1.177  0.00  0.00    +0.085 A 
ATOM     18  C   LIG    1       -3.599  -2.017  -1.390  0.00  0.00    +0.151 A 
ATOM     19  F   LIG    1       -3.110  -2.933  -2.236  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1       -2.103   0.521   0.687  0.00  0.00    +0.038 A 
BRANCH  16  21
ATOM     21  O   LIG    1       -6.811  -0.864  -0.059  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1       -7.280  -1.533  -0.584  0.00  0.00    +0.292 HD
ENDBRANCH  16  21
ENDBRANCH   7  10
BRANCH   1  24
ATOM     23  C   LIG    1        4.043  -0.627  -1.805  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1        3.847  -0.648  -0.289  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        3.902  -2.074   0.260  0.00  0.00    +0.032 C 
ENDBRANCH   1  24
BRANCH   4  26
ATOM     26  N   LIG    1       -0.463   3.158   1.724  0.00  0.00    -0.342 N 
ATOM     27  H   LIG    1       -0.986   3.073   0.860  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1       -0.387   4.111   2.069  0.00  0.00    +0.144 HD
ENDBRANCH   4  26
TORSDOF 4