REMARK  Name = BDB003536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.261  -0.234   0.022  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.629  -1.198   0.317  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        2.130  -1.044   0.438  0.00  0.00    +0.220 A 
ATOM      4  O   LIG    1        2.764  -2.050   0.715  0.00  0.00    -0.284 OA
ATOM      5  C   LIG    1        2.972   0.213   0.260  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        2.474   1.410  -0.044  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.196   1.750  -0.246  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.050   1.057  -0.218  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.600   0.032   1.024  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -1.743  -0.668  -0.038  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -2.348  -0.486  -1.435  0.00  0.00    +0.012 C 
ENDBRANCH   1  10
BRANCH   5  12
ATOM     12  O   LIG    1        4.343   0.062   0.432  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        4.463  -0.889   0.645  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
TORSDOF 2