REMARK  Name = BDB027931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.897  -0.403  -0.596  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -1.286  -1.314  -0.364  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.772   0.733  -0.269  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -1.987   0.869   1.242  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.397   1.695   1.936  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.905   0.013   1.804  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.034   0.137   2.799  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.993  -0.514   1.159  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.972  -0.902   1.788  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.912  -0.614  -0.345  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -3.133   0.549  -0.945  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        3.286  -0.442   0.057  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.585  -1.601  -0.266  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.200  -1.563  -0.463  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        0.473  -0.373  -0.321  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        1.197   0.789  -0.037  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        2.586   0.756   0.165  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.382   0.543   0.582  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.631  -0.611   0.227  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 3