REMARK  Name = BDB020181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.820  -1.222   1.221  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.897  -0.558   0.787  0.00  0.00    +0.224 C 
ATOM      3  C   LIG    1       -1.711  -1.140   0.111  0.00  0.00    +0.096 C 
ATOM      4  C   LIG    1       -0.893   0.070  -0.359  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1       -1.736   1.250   0.043  0.00  0.00    +0.230 C 
ATOM      6  O   LIG    1       -1.536   2.398  -0.316  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -1.454  -0.931  -1.355  0.00  0.00    +0.035 C 
ATOM      8  N   LIG    1       -2.779   0.797   0.791  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.529   1.400   1.087  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        0.601   0.120  -0.128  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        1.474   0.506  -1.160  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.856   0.561  -0.965  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        3.397   0.234   0.275  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        2.557  -0.142   1.317  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        1.174  -0.195   1.117  0.00  0.00    +0.005 A 
ENDBRANCH   4  10
TORSDOF 1