REMARK  Name = BDB009144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.930   1.760   0.705  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.592   0.995  -0.399  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.785  -0.493  -0.303  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.773  -1.043  -1.337  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -2.521  -0.435  -2.712  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -2.655   1.088  -2.670  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.004   1.705  -1.463  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -1.820   3.178  -1.493  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -2.197   3.858  -2.442  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.214   3.728  -0.397  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -1.078   4.733  -0.397  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -0.762   3.050   0.691  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.400   1.019   1.929  0.00  0.00    +0.092 C 
BRANCH  13  18
ATOM     14  C   LIG    1        4.486  -2.041   1.041  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1        3.197  -1.292   1.241  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1        2.071  -1.904   1.819  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        0.931  -1.126   2.071  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        0.848   0.213   1.657  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1        1.958   0.794   1.041  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.121   0.051   0.838  0.00  0.00    +0.005 A 
BRANCH  16  21
ATOM     21  N   LIG    1        2.131  -3.203   2.346  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        1.226  -3.647   2.453  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        2.800  -3.807   1.882  0.00  0.00    +0.142 HD
ENDBRANCH  16  21
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 3