REMARK  Name = BDB027891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.582   0.753  -0.579  0.00  0.00    -0.331 N 
ATOM      2  H   LIG    1       -0.495   1.757  -0.787  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.776   0.476   0.231  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.656   1.739   0.291  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -2.207   2.876   0.142  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.992   1.543   0.547  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.561   2.378   0.582  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.678   0.356   0.508  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.901   0.328   0.609  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.848  -0.899   0.389  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.583  -0.647  -0.416  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     12  C   LIG    1        3.261  -0.756   0.381  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.116   0.435  -0.319  0.00  0.00    +0.085 A 
ATOM     14  C   LIG    1        1.836   0.911  -0.605  0.00  0.00    +0.148 A 
ATOM     15  F   LIG    1        1.724   2.062  -1.288  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1        0.668   0.246  -0.189  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1        0.836  -0.967   0.481  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        2.117  -1.454   0.774  0.00  0.00    +0.047 A 
BRANCH  12  20
ATOM     19  C   LIG    1        5.636  -0.673   0.350  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.443  -1.346   0.734  0.00  0.00    -0.495 OA
ENDBRANCH  12  20
ENDBRANCH   1  16
TORSDOF 3