REMARK  Name = BDB027921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.710   0.129   0.332  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1        0.874   0.803   1.089  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.601   0.344  -0.819  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.743   1.287  -0.404  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        2.627   2.512  -0.400  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        3.899   0.702   0.054  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        4.620   1.334   0.372  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.164  -0.635   0.207  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.220  -1.013   0.708  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.087  -1.596  -0.225  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.194  -0.983  -1.295  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -1.528   0.599   1.156  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -0.689   0.121   0.120  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.284  -0.448  -1.014  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.679  -0.511  -1.151  0.00  0.00    -0.048 A 
ATOM     16  C   LIG    1       -3.292  -1.083  -2.395  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -3.487   0.010  -0.138  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -2.917   0.553   1.015  0.00  0.00    +0.048 A 
BRANCH  12  20
ATOM     19  C   LIG    1       -1.658   1.525   3.351  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -0.864   1.119   2.244  0.00  0.00    -0.493 OA
ENDBRANCH  12  20
ENDBRANCH   1  13
TORSDOF 3