REMARK  Name = BDB056771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.066   1.430  -1.476  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.192   0.967  -0.481  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.832   1.262  -0.644  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.349   1.992  -1.726  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.011   2.137  -1.653  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.387   1.500  -0.559  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.243   2.470  -2.696  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.292   0.974   0.095  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.316   0.230   1.332  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.607   2.187  -2.555  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.428   1.224  -1.401  0.00  0.00    -0.456 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -7.550  -1.609   1.057  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -6.448  -1.458   0.051  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1       -5.917  -0.194  -0.238  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -4.862  -0.057  -1.146  0.00  0.00    +0.131 A 
ATOM     16  C   LIG    1       -4.344  -1.177  -1.796  0.00  0.00    +0.084 A 
ATOM     17  C   LIG    1       -4.862  -2.430  -1.495  0.00  0.00    +0.127 A 
ATOM     18  F   LIG    1       -4.358  -3.514  -2.100  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -5.897  -2.582  -0.576  0.00  0.00    +0.042 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.796   1.384  -0.068  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.069  -0.007   0.108  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.315  -0.346   0.558  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.334   0.542   0.903  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.569   0.053   1.360  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        6.781  -1.326   1.468  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        5.763  -2.213   1.122  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.537  -1.721   0.670  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.618   1.037   1.720  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        7.499   2.248   1.681  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.766   0.460   2.114  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        9.357   1.217   2.312  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7