REMARK  Name = BDB014379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.117   0.824  -0.627  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -3.002  -0.001  -0.375  0.00  0.00    +0.103 A 
ATOM      3  C   LIG    1       -3.066  -1.343  -0.748  0.00  0.00    +0.071 A 
ATOM      4  N   LIG    1       -1.851  -1.858  -0.373  0.00  0.00    -0.326 N 
ATOM      5  H   LIG    1       -1.552  -2.815  -0.465  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.107  -0.857   0.195  0.00  0.00    +0.197 A 
ATOM      7  C   LIG    1       -4.183  -1.921  -1.356  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -5.269  -1.077  -1.591  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.363  -1.581  -2.176  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -1.795   0.260   0.232  0.00  0.00    -0.214 NA
ATOM     11  C   LIG    1       -5.253   0.269  -1.242  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        0.146  -1.088   0.668  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        0.808   0.066   1.321  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        1.792   0.776   0.367  0.00  0.00    +0.125 C 
ATOM     15  N   LIG    1        2.792  -0.163  -0.196  0.00  0.00    -0.312 N 
ATOM     16  C   LIG    1        2.550  -1.591   0.074  0.00  0.00    +0.125 C 
ATOM     17  C   LIG    1        1.058  -1.935  -0.139  0.00  0.00    +0.127 C 
BRANCH  15  18
ATOM     18  C   LIG    1        4.125   0.240  -0.228  0.00  0.00    +0.125 A 
ATOM     19  N   LIG    1        5.084  -0.658   0.068  0.00  0.00    -0.221 NA
ATOM     20  C   LIG    1        6.359  -0.243   0.012  0.00  0.00    +0.223 A 
ATOM     21  N   LIG    1        6.781   0.982  -0.323  0.00  0.00    -0.244 NA
ATOM     22  C   LIG    1        5.806   1.848  -0.635  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1        4.467   1.528  -0.606  0.00  0.00    +0.063 A 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  27
ATOM     24  N   LIG    1       -5.230   2.764   0.280  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -5.933   2.164   0.688  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.156   3.707   0.641  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.084   2.256  -0.274  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -3.111   2.969  -0.467  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3