REMARK  Name = BDB002592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.310  -0.788  -0.507  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        3.854  -0.719  -0.519  0.00  0.00    -0.341 N 
ATOM      3  C   LIG    1        3.133   0.308  -0.033  0.00  0.00    +0.185 A 
ATOM      4  N   LIG    1        1.849  -0.008  -0.204  0.00  0.00    -0.261 N 
ATOM      5  C   LIG    1        0.797   0.942   0.198  0.00  0.00    +0.331 C 
ATOM      6  N   LIG    1       -0.547   0.575   0.253  0.00  0.00    -0.222 N 
ATOM      7  O   LIG    1        1.262   2.052   0.423  0.00  0.00    -0.248 OA
ATOM      8  C   LIG    1        1.722  -1.194  -0.887  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        2.995  -1.663  -1.065  0.00  0.00    +0.105 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.944  -0.732   0.674  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -2.025  -1.383   0.055  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.389  -2.676   0.436  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.680  -3.333   1.438  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -0.608  -2.701   2.062  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.238  -1.409   1.682  0.00  0.00    +0.024 A 
ENDBRANCH   6  10
BRANCH   6  16
ATOM     16  C   LIG    1       -1.567   1.592   0.162  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -1.369   2.719  -0.654  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.345   3.716  -0.761  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.535   3.610  -0.050  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.749   2.509   0.772  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.775   1.511   0.879  0.00  0.00    +0.024 A 
ENDBRANCH   6  16
TORSDOF 2