REMARK  Name = BDB033067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.693  -0.501   0.595  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.588  -0.391  -0.227  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.461  -1.361   0.385  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.741  -2.347   1.043  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.192  -3.377   1.517  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.720  -1.970   1.018  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.139   0.191   1.762  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.065   0.178   0.537  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        1.887  -0.097  -0.127  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.917  -0.217  -1.135  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.274   0.461  -0.286  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1        4.279   0.394  -1.681  0.00  0.00    +0.135 A 
ATOM     13  F   LIG    1        3.172   0.060  -2.364  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        5.436   0.667  -2.410  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        6.611   1.012  -1.745  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.625   1.081  -0.353  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.463   0.806   0.374  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -2.848  -1.527  -0.007  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.685  -0.316   0.344  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -4.196   0.576  -0.627  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1       -4.960   1.681  -0.203  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -5.211   1.906   1.150  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.704   1.032   2.104  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.947  -0.069   1.706  0.00  0.00    +0.006 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -3.947   0.375  -2.104  0.00  0.00    +0.418 C 
ATOM     26  F   LIG    1       -4.472   1.357  -2.890  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.473  -0.791  -2.570  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.619   0.336  -2.409  0.00  0.00    -0.166 F 
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5