REMARK  Name = BDB000984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.199  -0.652   0.169  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.191  -0.016  -0.540  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.136   0.346  -1.484  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.301   0.106   0.259  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.924  -0.481   1.455  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.837  -0.517   2.518  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.103   0.054   2.336  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.459   0.641   1.116  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.562   0.671   0.034  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.639  -0.953   1.383  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -2.256  -0.358   0.420  0.00  0.00    -0.288 NA
ATOM     12  C   LIG    1       -1.183  -0.951  -0.396  0.00  0.00    +0.077 C 
ATOM     13  C   LIG    1       -1.300  -0.595  -1.890  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.448  -2.468  -0.229  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -2.950  -2.573  -0.072  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -3.312  -1.321   0.704  0.00  0.00    +0.086 C 
BRANCH  11  18
ATOM     17  C   LIG    1       -3.529   1.490  -0.723  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -2.636   1.049   0.444  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -1.458   2.017   0.588  0.00  0.00    +0.024 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        3.863   1.266  -1.292  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        2.982   1.423  -2.131  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        5.157   1.603  -1.571  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        5.942   1.289  -1.021  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        5.347   1.909  -2.517  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 3