REMARK  Name = BDB027940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.056  -0.540  -0.672  0.00  0.00    -0.321 N 
ATOM      2  C   LIG    1       -0.292  -1.549  -1.686  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.055   0.475  -1.124  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1        1.193   1.656  -0.145  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1        0.799   2.792  -0.406  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        1.844   1.389   1.036  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        1.901   2.166   1.678  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        2.816   0.439   1.201  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        3.589   0.487   2.155  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.892  -0.657   0.164  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.450  -0.160  -1.207  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     12  C   LIG    1       -0.845  -1.472   1.900  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -1.618  -0.456   1.105  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -1.149  -0.001  -0.147  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -1.908   0.953  -0.847  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.095   1.458  -0.316  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.547   1.013   0.921  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.814   0.061   1.628  0.00  0.00    +0.005 A 
ENDBRANCH   1  14
TORSDOF 2