REMARK  Name = BDB025411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.329   0.664   0.468  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        1.575   0.352  -0.118  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        2.845   0.796   0.280  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        3.736   0.270  -0.618  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        5.210   0.363  -0.766  0.00  0.00    +0.068 C 
ATOM      6  C   LIG    1        5.707  -0.795  -1.655  0.00  0.00    +0.165 C 
ATOM      7  O   LIG    1        4.949  -0.884  -2.877  0.00  0.00    -0.373 OA
ATOM      8  C   LIG    1        3.567  -1.257  -2.641  0.00  0.00    +0.217 C 
ATOM      9  C   LIG    1        2.957  -0.484  -1.517  0.00  0.00    +0.094 A 
ATOM     10  N   LIG    1        1.656  -0.460  -1.224  0.00  0.00    -0.165 NA
ATOM     11  O   LIG    1        0.289   1.449   1.413  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -5.826   0.150   1.052  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.395  -0.201   1.359  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -3.360  -0.000   0.414  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -3.659   0.576  -0.834  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.597   0.345  -1.150  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.658   0.413  -1.874  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -1.313   0.880  -1.359  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -0.872  -0.006  -0.187  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -2.021  -0.263   0.788  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -1.754  -0.843   2.041  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -2.787  -1.083   2.933  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -2.516  -1.629   4.126  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.096  -0.760   2.611  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   3  25
ATOM     25  N   LIG    1        3.060   1.584   1.358  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        2.259   2.021   1.830  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        3.926   2.103   1.472  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
TORSDOF 2