REMARK  Name = BDB045744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.580   0.281  -0.155  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        2.752  -0.362  -1.073  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.366  -0.400  -0.876  0.00  0.00    +0.052 A 
ATOM      4  N   LIG    1        0.579  -1.082  -1.813  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.010  -1.531  -2.609  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.787  -1.187  -1.745  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -1.468  -0.541  -0.594  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.712   0.149   0.371  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1       -1.420   0.706   1.449  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.815   0.597   1.541  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.555  -0.037   0.544  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -2.866  -0.651  -0.498  0.00  0.00    +0.036 A 
ATOM     13  O   LIG    1       -1.415  -1.793  -2.608  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        0.756   0.235   0.220  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.599   0.934   1.098  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.986   0.971   0.900  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        4.948   0.422  -0.410  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        5.346  -0.324  -0.973  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.505   0.618   0.415  0.00  0.00    +0.142 HD
ENDBRANCH   1  17
BRANCH  11  20
ATOM     20  N   LIG    1       -4.927  -0.245   0.707  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -5.393   0.463   1.265  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -5.421  -0.440  -0.159  0.00  0.00    +0.142 HD
ENDBRANCH  11  20
TORSDOF 2