REMARK  Name = BDB049563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152  -1.343  -1.764  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1        0.059  -2.438  -2.779  0.00  0.00    +0.141 C 
ATOM      3  N   LIG    1        1.302  -2.304  -3.459  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        1.617  -2.856  -4.245  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1        2.044  -1.245  -2.997  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1        3.123  -0.906  -3.445  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.284  -0.619  -1.881  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1        1.732   0.516  -1.153  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.998   0.713  -0.522  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.954   1.962   0.109  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        4.039   2.466   0.845  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        5.192   1.682   0.941  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.262   0.438   0.323  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        1.714   2.504  -0.156  0.00  0.00    -0.349 N 
ATOM     15  C   LIG    1        1.260   3.798   0.300  0.00  0.00    +0.149 C 
ATOM     16  C   LIG    1        4.176  -0.056  -0.407  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        0.968   1.639  -0.910  0.00  0.00    +0.095 A 
ENDBRANCH   7   8
BRANCH   1  22
ATOM     18  C   LIG    1       -1.638  -0.808   1.533  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1       -2.978  -0.833   1.112  0.00  0.00    +0.204 A 
ATOM     20  C   LIG    1       -3.296  -1.079  -0.229  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1       -2.269  -1.215  -1.168  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -0.926  -1.169  -0.776  0.00  0.00    -0.012 A 
ATOM     23  C   LIG    1       -0.625  -0.991   0.585  0.00  0.00    +0.058 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -0.075  -0.472   3.307  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -1.424  -0.598   2.872  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -3.977  -0.638   2.037  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1       -4.237   0.759   2.178  0.00  0.00    +0.277 C 
ENDBRANCH  19  26
BRANCH  20  28
ATOM     28  O   LIG    1       -4.562  -1.142  -0.751  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.477  -1.921   0.018  0.00  0.00    +0.277 C 
ENDBRANCH  20  28
ENDBRANCH   1  22
TORSDOF 5