REMARK  Name = BDB025413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.128  -0.370  -0.746  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        1.286  -0.391  -0.632  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        2.157  -0.561   0.468  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1        3.418  -0.227   0.020  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        4.731  -0.128   0.714  0.00  0.00    +0.121 C 
ATOM      6  N   LIG    1        5.831  -0.262  -0.261  0.00  0.00    -0.311 NA
ATOM      7  H   LIG    1        5.833  -1.222  -0.607  0.00  0.00    +0.122 HD
ATOM      8  C   LIG    1        5.651   0.652  -1.410  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1        4.402   0.328  -2.256  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        3.263   0.010  -1.356  0.00  0.00    +0.071 A 
ATOM     11  N   LIG    1        2.012  -0.143  -1.774  0.00  0.00    -0.167 NA
ATOM     12  O   LIG    1       -0.641  -0.362  -1.864  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1       -5.882   0.911   0.244  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -4.750  -0.080   0.198  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1       -3.401   0.326   0.332  0.00  0.00    +0.034 A 
ATOM     16  N   LIG    1       -3.102   1.675   0.594  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -3.758   2.302   0.133  0.00  0.00    +0.146 HD
ATOM     18  C   LIG    1       -1.720   2.085   0.411  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1       -0.799   1.128   1.151  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -0.920  -0.278   0.552  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -2.386  -0.656   0.349  0.00  0.00    -0.011 A 
ATOM     22  C   LIG    1       -2.716  -2.009   0.157  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -4.040  -2.382  -0.018  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -4.343  -3.675  -0.195  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.054  -1.437   0.005  0.00  0.00    +0.043 A 
ENDBRANCH   1  20
BRANCH   3  26
ATOM     26  N   LIG    1        1.800  -0.970   1.716  0.00  0.00    -0.343 N 
ATOM     27  H   LIG    1        2.553  -1.077   2.399  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        1.199  -1.791   1.797  0.00  0.00    +0.144 HD
ENDBRANCH   3  26
TORSDOF 2