REMARK  Name = BDB012667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.635  -3.580   0.492  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.842  -2.395   0.265  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1       -2.244  -1.096   0.449  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.144  -0.326   0.080  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.265   1.081   0.105  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.465   1.675   0.539  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -3.541   0.860   0.919  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -0.135  -1.272  -0.279  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1       -3.454  -0.536   0.880  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.595  -2.522  -0.218  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.610   3.178   0.551  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1       -1.422   3.835   0.662  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -3.195   3.650  -0.584  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -3.380   3.628   1.582  0.00  0.00    -0.166 F 
ENDBRANCH   6  11
BRANCH   8  15
ATOM     15  N   LIG    1        1.110  -0.984  -0.723  0.00  0.00    -0.296 N 
ATOM     16  H   LIG    1        1.535  -1.735  -1.276  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.106  -0.139  -0.179  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        3.288   0.158  -0.887  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        4.221   1.066  -0.370  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        3.953   1.661   0.846  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        2.845   1.406   1.565  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1        1.960   0.522   1.040  0.00  0.00    +0.134 A 
BRANCH  18  23
ATOM     23  C   LIG    1        3.572  -0.524  -2.174  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        3.028  -1.535  -2.581  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.526   0.092  -2.895  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        4.596  -0.450  -3.710  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH   8  15
TORSDOF 5