REMARK  Name = BDB000969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505   0.633  -0.227  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.515  -0.193   0.179  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.435  -0.857   0.939  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.591  -0.000  -0.646  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.145   0.944  -1.564  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        1.993   1.349  -2.606  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.267   0.775  -2.706  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.695  -0.173  -1.774  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.870  -0.567  -0.708  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.139   1.342  -1.277  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.886   1.921   1.380  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.830   0.669   0.497  0.00  0.00    +0.075 C 
ATOM     13  N   LIG    1       -2.021  -0.554   1.322  0.00  0.00    -0.305 NA
ATOM     14  H   LIG    1       -2.735  -0.344   2.022  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -2.580  -1.580   0.421  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.147  -0.864  -0.794  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -3.014   0.613  -0.468  0.00  0.00    +0.031 C 
ENDBRANCH   1  12
BRANCH   9  18
ATOM     18  C   LIG    1        3.361  -1.555   0.273  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        4.163  -2.426  -0.032  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.919  -1.415   1.562  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        2.638  -0.500   1.890  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        3.411  -1.994   2.233  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2