REMARK  Name = BDB000990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.140  -0.482   0.186  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.023   0.219  -0.041  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.065   1.182  -0.348  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.088  -0.606   0.208  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.502  -1.821   0.543  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.317  -2.930   0.817  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.708  -2.787   0.728  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.277  -1.558   0.389  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.476  -0.432   0.141  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.132  -1.721   0.545  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.503   0.163   0.000  0.00  0.00    +0.077 C 
ATOM     12  N   LIG    1       -1.510   1.475   0.702  0.00  0.00    -0.304 NA
ATOM     13  H   LIG    1       -0.996   1.335   1.576  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -2.897   1.738   1.109  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1       -3.587   0.394   1.243  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -2.592  -0.634   0.731  0.00  0.00    +0.031 C 
BRANCH  11  18
ATOM     17  C   LIG    1       -3.078   0.839  -2.016  0.00  0.00    +0.006 C 
ATOM     18  C   LIG    1       -1.745   0.286  -1.533  0.00  0.00    +0.026 C 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   9  19
ATOM     19  C   LIG    1        4.108   0.860  -0.197  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        5.176   0.922  -0.787  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        3.466   1.990   0.235  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        4.017   2.836   0.140  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        2.885   1.937   1.062  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3