REMARK  Name = BDB056219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.271   0.608  -0.619  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1        0.085   0.456  -1.484  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1       -1.059  -0.236  -0.748  0.00  0.00    +0.041 C 
ATOM      4  C   LIG    1       -1.524   0.570   0.498  0.00  0.00    +0.022 C 
ATOM      5  N   LIG    1       -2.629   1.495   0.147  0.00  0.00    -0.310 NA
ATOM      6  H   LIG    1       -2.652   1.649  -0.861  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -3.957   1.099   0.612  0.00  0.00    +0.081 C 
ATOM      8  C   LIG    1       -4.215  -0.394   0.465  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -3.197  -1.222   1.246  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1       -1.956  -0.410   1.619  0.00  0.00    +0.022 C 
ATOM     11  C   LIG    1       -0.369   1.471   1.009  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        0.988   0.799   0.817  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        2.889  -2.557  -1.370  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        4.197  -2.422  -1.122  0.00  0.00    -0.214 NA
ATOM     15  C   LIG    1        4.511  -1.182  -0.710  0.00  0.00    +0.183 A 
ATOM     16  C   LIG    1        3.578  -0.178  -0.546  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        4.307   0.910  -0.154  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        3.934   1.833   0.018  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        5.616   0.524  -0.074  0.00  0.00    +0.199 A 
ATOM     20  C   LIG    1        2.234  -0.396  -0.800  0.00  0.00    +0.150 A 
ATOM     21  N   LIG    1        5.771  -0.740  -0.400  0.00  0.00    -0.216 NA
ATOM     22  N   LIG    1        1.911  -1.634  -1.238  0.00  0.00    -0.219 NA
ENDBRANCH   1  20
TORSDOF 1