REMARK  Name = BDB027894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.350   0.027   0.073  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1        0.369   1.045   0.184  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.348  -0.476  -0.885  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.979  -1.785  -0.388  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        1.712  -2.887  -0.866  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        2.910  -1.669   0.617  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        3.309  -2.544   0.925  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.708  -0.577   0.830  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.763  -0.677   1.450  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.227   0.740   0.272  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.474   0.551  -1.039  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -1.998   0.638   0.231  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -1.009  -0.313  -0.125  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.424  -1.581  -0.543  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.783  -1.888  -0.659  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.745  -0.936  -0.338  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.356   0.327   0.109  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -2.446   2.767   1.206  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.506   1.856   0.648  0.00  0.00    -0.493 OA
ENDBRANCH  12  19
ENDBRANCH   1  13
TORSDOF 3