REMARK  Name = BDB059666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.181   0.449  -0.327  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -0.636  -0.560   0.081  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.010  -1.843   0.581  0.00  0.00    +0.278 A 
ATOM      4  O   LIG    1       -0.609  -2.830   0.958  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        1.413  -1.835   0.581  0.00  0.00    -0.179 N 
ATOM      6  C   LIG    1        2.191  -0.780   0.159  0.00  0.00    +0.155 A 
ATOM      7  C   LIG    1        3.499  -1.167   0.315  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1        3.426  -2.471   0.836  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        2.168  -2.891   1.002  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1        1.569   0.331  -0.290  0.00  0.00    -0.342 N 
ATOM     11  H   LIG    1        2.096   1.140  -0.624  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -2.162  -0.598   0.119  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -2.816   0.571   0.861  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -2.764  -0.799  -1.273  0.00  0.00    +0.012 C 
ENDBRANCH   2  12
BRANCH   1  16
ATOM     15  C   LIG    1       -0.141   2.921   0.088  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -0.304   1.771  -0.898  0.00  0.00    +0.050 C 
ENDBRANCH   1  16
BRANCH   7  17
ATOM     17  C   LIG    1        4.663  -0.411   0.012  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        5.604   0.218  -0.240  0.00  0.00    -0.191 NA
ENDBRANCH   7  17
TORSDOF 3