REMARK  Name = BDB046005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.476  -2.536  -0.999  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        5.426  -1.627  -0.973  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        4.578  -1.108   0.121  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        3.703  -0.189  -0.431  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        3.822  -0.092  -1.867  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        4.626  -1.444   1.289  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        4.963  -1.011  -2.153  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        5.529  -1.282  -3.388  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        6.579  -2.190  -3.439  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        7.045  -2.804  -2.264  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        6.584  -3.105   1.407  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        7.022  -3.614   2.162  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.801  -2.496   1.643  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        7.082  -3.265   0.153  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        8.039  -4.017  -0.019  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        2.611   0.442   0.295  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.353  -0.426   0.285  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.215   0.178   1.117  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.208   1.514   0.662  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1       -0.914   1.508  -0.625  0.00  0.00    +0.086 C 
ATOM     21  C   LIG    1       -2.324   0.911  -0.576  0.00  0.00    +0.034 C 
ATOM     22  C   LIG    1       -3.208   1.593   0.490  0.00  0.00    +0.059 C 
ATOM     23  C   LIG    1       -2.436   1.612   1.829  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1       -1.030   2.195   1.671  0.00  0.00    +0.086 C 
BRANCH  22  25
ATOM     25  N   LIG    1       -4.534   0.939   0.652  0.00  0.00    -0.299 NA
ATOM     26  C   LIG    1       -5.358   1.599   1.688  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1       -6.876   1.491   1.485  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -7.258   0.128   0.935  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.487  -0.184  -0.348  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -5.290   0.745  -0.587  0.00  0.00    +0.084 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6