REMARK  Name = BDB033077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.542   1.690  -0.272  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.540   0.618  -0.432  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.006   0.352   0.904  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.580   1.294   1.819  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -0.913   1.369   2.992  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.311   2.287   1.118  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.954  -0.357   1.188  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.506   0.218   0.256  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.910   1.211  -0.493  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.347   1.489  -1.361  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.881  -0.205  -0.129  0.00  0.00    +0.081 A 
ATOM     12  C   LIG    1        4.348  -1.473   0.260  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        5.623  -1.909  -0.103  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.455  -1.071  -0.841  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        6.005   0.194  -1.201  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        6.812   1.006  -1.896  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.733   0.639  -0.851  0.00  0.00    +0.055 A 
BRANCH  12  18
ATOM     18  O   LIG    1        3.603  -2.350   1.004  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        2.808  -1.871   1.333  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -1.946  -0.707   1.211  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.364  -0.348   0.807  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.014  -0.922  -0.310  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.330  -0.517  -0.616  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -5.991   0.433   0.161  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.351   0.996   1.259  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.051   0.609   1.579  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.346  -1.960  -1.183  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -4.124  -2.389  -2.217  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -2.200  -1.499  -1.760  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -2.998  -3.082  -0.496  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6