REMARK  Name = BDB054663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.270   1.075   0.241  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.899   0.339  -0.105  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -1.929   1.158  -0.361  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -1.480   2.408  -0.092  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.159   2.389   0.275  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.089  -1.109  -0.197  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -0.617  -1.961   0.812  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.795  -3.345   0.714  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.461  -3.880  -0.397  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -1.949  -3.039  -1.405  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -1.764  -1.657  -1.298  0.00  0.00    +0.012 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -1.651  -5.332  -0.504  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1       -1.247  -6.037   0.432  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -2.196  -5.768  -1.528  0.00  0.00    -0.126 OA
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  15
ATOM     15  C   LIG    1       -2.342   3.535  -0.215  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -3.674   3.344  -0.614  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -4.536   4.436  -0.741  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.075   5.723  -0.471  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.754   5.921  -0.073  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -1.886   4.832   0.056  0.00  0.00    +0.028 A 
ENDBRANCH   4  15
BRANCH   1  22
ATOM     21  O   LIG    1        2.313   1.292   1.337  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        1.634   0.655   0.541  0.00  0.00    +0.252 C 
ATOM     23  N   LIG    1        2.048  -0.449  -0.178  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        1.419  -0.789  -0.893  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.273  -1.140  -0.073  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        3.473  -2.217  -0.947  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.652  -2.964  -0.902  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.644  -2.642   0.020  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.454  -1.575   0.894  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.272  -0.827   0.850  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 5