REMARK  Name = BDB008445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.271   0.296  -0.452  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1       -0.356   1.325   0.233  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.726   1.033   0.251  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.619   1.906   0.873  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.068   1.646   0.898  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.681   0.541   0.348  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.686   0.577   0.494  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.296  -0.592  -0.296  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1       -3.101  -0.939  -0.649  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -2.925  -2.297  -1.332  0.00  0.00    +0.058 C 
ATOM     11  C   LIG    1       -1.739  -2.308  -2.307  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -0.426  -1.869  -1.637  0.00  0.00    +0.054 C 
ATOM     13  O   LIG    1       -4.793   2.480   1.452  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1       -2.106   3.068   1.480  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -0.741   3.348   1.464  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -1.903  -0.185  -0.414  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.158   2.481   0.841  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -0.669  -0.615  -0.863  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        1.709   0.205  -0.678  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.419  -0.505   0.483  0.00  0.00    +0.105 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.614   0.534   0.266  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.861  -0.723   0.246  0.00  0.00    -0.307 NA
ATOM     23  C   LIG    1        4.401  -1.633   1.262  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 3