REMARK  Name = BDB004553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.746  -0.613  -1.479  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.864  -0.478  -0.385  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.962   0.604  -0.404  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.076   0.711   0.691  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.120  -0.140   1.728  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.011  -1.125   1.656  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -0.980   1.526  -1.482  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.859   1.378  -2.546  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -1.871  -1.343   0.655  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.737   0.307  -2.546  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -3.799  -2.658  -0.608  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.191  -2.593   0.204  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.486  -3.395  -0.667  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.747  -1.720  -1.595  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.513  -1.797  -2.551  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.857   1.770   0.724  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1        1.383   1.764  -0.148  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.806   1.755   1.839  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.960   0.826   1.661  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        3.811   1.102   0.628  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        4.771   0.142   0.640  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        4.548  -0.751   1.662  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        3.376  -0.311   2.322  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4