REMARK  Name = BDB057233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.395  -0.048   0.060  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.034   0.252   0.176  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.057  -0.712  -0.130  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        1.475  -1.981  -0.556  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.831  -2.285  -0.674  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.785  -1.319  -0.367  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.370  -0.434  -0.020  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -1.345  -1.387  -0.315  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -2.476  -0.770  -0.101  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -3.913  -1.087  -0.195  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -4.545   0.328  -0.135  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -3.502   1.232   0.551  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -2.275   0.507   0.314  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -0.956   0.764   0.373  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1        4.097   2.113   0.768  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.433   0.803   0.329  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
TORSDOF 2