REMARK  Name = BDB000979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.109   0.593   0.048  0.00  0.00    +0.114 A 
ATOM      2  N   LIG    1        1.175  -0.151   0.499  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        1.180  -0.808   1.269  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.267   0.121  -0.287  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.802   1.049  -1.204  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.676   1.543  -2.182  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.995   1.071  -2.206  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.440   0.134  -1.266  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.583  -0.359  -0.267  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.481   1.340  -0.976  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.123   1.064   2.153  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -1.271   0.546   0.700  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.230   1.500  -0.065  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -3.724   1.253   0.152  0.00  0.00    +0.082 C 
ATOM     15  N   LIG    1       -4.273   0.310  -0.818  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -5.288   0.409  -0.843  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -3.947  -1.090  -0.580  0.00  0.00    +0.081 C 
ATOM     18  C   LIG    1       -2.455  -1.426  -0.515  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -1.792  -0.914   0.764  0.00  0.00    +0.015 C 
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        3.979  -1.345   0.770  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        3.142  -1.874   1.494  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        5.307  -1.623   0.922  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        5.553  -2.217   1.704  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        6.040  -1.054   0.526  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 2