REMARK  Name = BDB028789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.692  -0.055   0.255  0.00  0.00    -0.238 N 
ATOM      2  C   LIG    1       -1.133  -1.357   0.525  0.00  0.00    +0.314 C 
ATOM      3  O   LIG    1       -0.474  -2.389   0.612  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1       -2.498  -1.476   0.707  0.00  0.00    -0.240 N 
ATOM      5  H   LIG    1       -2.805  -2.418   0.901  0.00  0.00    +0.159 HD
ATOM      6  C   LIG    1       -3.449  -0.649   0.176  0.00  0.00    +0.222 C 
ATOM      7  O   LIG    1       -4.620  -0.999   0.062  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.950   0.666  -0.340  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1       -1.667   1.020   0.381  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.958  -0.852  -0.543  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        2.748  -0.096  -0.330  0.00  0.00    -0.273 N 
ATOM     12  N   LIG    1        1.593  -0.746  -0.152  0.00  0.00    -0.156 NA
ATOM     13  C   LIG    1        0.670   0.202   0.032  0.00  0.00    +0.151 A 
ATOM     14  C   LIG    1        1.283   1.486  -0.055  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        2.619   1.256  -0.287  0.00  0.00    +0.110 A 
ENDBRANCH   1  13
TORSDOF 1