REMARK  Name = BDB053427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.994   0.649   0.175  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1       -2.450   0.026  -0.902  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -3.090  -0.356  -2.137  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -1.102  -0.087  -0.702  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1       -0.265  -0.573  -1.438  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.918   0.546   0.638  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        0.221   0.715   1.321  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -2.142   0.983   1.102  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        1.567   0.298   0.920  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.565   1.272   0.775  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.833   0.854   0.431  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        4.912   1.661   0.245  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.920   0.689  -0.102  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.437  -0.670  -0.091  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.133  -0.474   0.239  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.181  -1.459   0.384  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.885  -1.065   0.733  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     18  C   LIG    1       -5.354  -0.058   0.141  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1       -4.320   0.938   0.322  0.00  0.00    -0.320 N 
ATOM     20  H   LIG    1       -4.440   1.427   1.207  0.00  0.00    +0.148 HD
ENDBRANCH   1  19
TORSDOF 2