REMARK  Name = BDB056178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.070  -0.157   0.144  0.00  0.00    +0.016 A 
ATOM      2  C   LIG    1        0.953  -0.925   0.485  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.324  -0.419   0.232  0.00  0.00    +0.076 A 
ATOM      4  N   LIG    1       -1.440  -1.175   0.588  0.00  0.00    -0.280 N 
ATOM      5  H   LIG    1       -1.352  -2.061   1.067  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.711  -0.750   0.321  0.00  0.00    +0.255 C 
ATOM      7  C   LIG    1       -2.818   0.554  -0.469  0.00  0.00    +0.325 C 
ATOM      8  O   LIG    1       -1.699   1.417  -0.596  0.00  0.00    -0.481 OA
ATOM      9  O   LIG    1       -3.688  -1.412   0.662  0.00  0.00    -0.272 OA
ATOM     10  C   LIG    1       -0.486   0.841  -0.351  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1        0.635   1.604  -0.680  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        1.916   1.105  -0.438  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1        4.435  -0.062   0.127  0.00  0.00    -0.296 OA
ATOM     14  C   LIG    1        3.422  -0.690   0.406  0.00  0.00    +0.258 C 
ENDBRANCH   1  14
TORSDOF 1