REMARK  Name = BDB029427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.170   1.179   0.076  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.053   0.691   0.053  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -2.857   1.399  -0.014  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -2.824   2.407  -0.052  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.768   0.542  -0.023  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.211  -0.768   0.036  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.283  -1.769   0.030  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1        0.043  -1.504  -0.031  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1        0.464  -0.200  -0.079  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1       -0.433   0.868  -0.083  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -3.703  -0.803   0.092  0.00  0.00    +0.134 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.930  -0.014  -0.138  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        2.568   1.115   0.394  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.948   1.225   0.300  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.739   0.301  -0.279  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.122  -0.789  -0.777  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.751  -0.987  -0.730  0.00  0.00    +0.030 A 
ENDBRANCH   9  12
TORSDOF 1