REMARK  Name = BDB046280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.677   0.904   0.002  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1        1.359   1.152  -0.068  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1        0.506   0.099   0.007  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        0.949  -1.216   0.152  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1        0.030  -2.269   0.225  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        0.347  -3.224   0.331  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -1.334  -2.094   0.162  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -1.843  -0.702   0.007  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.226  -0.484  -0.062  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.719   0.812  -0.207  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.835   1.886  -0.283  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.456   1.667  -0.214  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -2.096  -3.053   0.231  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.312  -1.462   0.223  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -0.934   0.370  -0.068  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.189  -0.382   0.146  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        3.544   1.997  -0.077  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        4.110   2.050   0.764  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        4.166   1.888  -0.872  0.00  0.00    +0.144 HD
ENDBRANCH   1  17
TORSDOF 1