REMARK  Name = BDB025499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.104   0.975   0.569  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -1.465   0.623   0.367  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.109  -0.208  -0.576  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -3.397  -0.374  -0.122  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -4.543  -1.187  -0.610  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -5.857  -0.729   0.069  0.00  0.00    +0.086 C 
ATOM      7  N   LIG    1       -5.711  -0.471   1.518  0.00  0.00    -0.310 NA
ATOM      8  H   LIG    1       -5.306  -1.297   1.960  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1       -4.785   0.662   1.769  0.00  0.00    +0.138 C 
ATOM     10  C   LIG    1       -3.515   0.470   0.998  0.00  0.00    +0.082 A 
ATOM     11  N   LIG    1       -2.386   1.123   1.260  0.00  0.00    -0.166 NA
ATOM     12  O   LIG    1        0.169   1.871   1.366  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        6.031  -0.018   0.014  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        4.738   0.712  -0.235  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1        3.487   0.057  -0.149  0.00  0.00    +0.034 A 
ATOM     16  N   LIG    1        3.438  -1.302   0.212  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        4.258  -1.813  -0.099  0.00  0.00    +0.146 HD
ATOM     18  C   LIG    1        2.194  -2.000  -0.054  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1        1.037  -1.215   0.525  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1        0.929   0.144  -0.178  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1        2.302   0.812  -0.300  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        2.390   2.169  -0.664  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.625   2.793  -0.801  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.792   2.072  -0.578  0.00  0.00    +0.005 A 
ENDBRANCH   1  20
BRANCH   3  25
ATOM     25  N   LIG    1       -1.558  -0.733  -1.704  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -1.032  -0.100  -2.308  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -2.185  -1.273  -2.302  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
TORSDOF 2