REMARK  Name = BDB059098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.437  -0.484  -0.112  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -1.759   0.437  -1.143  0.00  0.00    +0.027 C 
ATOM      3  C   LIG    1       -0.544   1.173  -0.586  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.443   0.252  -0.020  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -0.062  -1.025   0.509  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.485  -0.869   1.031  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.810   0.446  -0.098  0.00  0.00    +0.198 A 
ATOM      8  N   LIG    1        2.272   1.708  -0.356  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.635   2.481  -0.425  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        3.593   2.035  -0.416  0.00  0.00    +0.256 A 
ATOM     11  O   LIG    1        3.972   3.188  -0.589  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.530   0.909  -0.253  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.998   1.183  -0.371  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        6.830  -0.095  -0.500  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.338  -1.169   0.463  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1        4.868  -1.510   0.203  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        3.992  -0.296  -0.008  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1        2.643  -0.537   0.083  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  C   LIG    1       -4.990  -0.531   0.111  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -3.755   0.089   0.403  0.00  0.00    -0.003 A 
ATOM     21  C   LIG    1       -3.759   1.268   1.173  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -4.950   1.815   1.647  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.159   1.196   1.357  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.180   0.029   0.592  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.155  -2.330  -0.949  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.932  -1.671  -0.650  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  20
TORSDOF 3