REMARK  Name = BDB057262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.601  -0.457   0.019  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        3.007   0.759   0.355  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.610   0.891   0.344  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.786  -0.189  -0.002  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.395  -1.405  -0.338  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.788  -1.536  -0.326  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.667  -0.086  -0.024  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -1.492  -1.155  -0.371  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -2.702  -0.675  -0.270  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -4.078  -1.171  -0.456  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -4.903  -0.062   0.248  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.013   1.196   0.248  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -2.691   0.627   0.113  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -1.423   1.040   0.286  0.00  0.00    +0.115 A 
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  C   LIG    1        5.813   0.353   0.336  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.943  -0.717  -0.009  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
TORSDOF 2