REMARK  Name = BDB025598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.854   0.504  -0.882  0.00  0.00    +0.198 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.659   1.083   0.188  0.00  0.00    -0.232 N 
ATOM      3  C   LIG    1       -2.721   0.514   0.852  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -3.075   1.493   1.778  0.00  0.00    +0.116 A 
ATOM      5  C   LIG    1       -4.139   1.270   2.661  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -4.815   0.053   2.572  0.00  0.00    +0.161 A 
ATOM      7  C   LIG    1       -4.450  -0.913   1.638  0.00  0.00    +0.161 A 
ATOM      8  F   LIG    1       -5.123  -2.071   1.581  0.00  0.00    -0.202 F 
ATOM      9  F   LIG    1       -5.838  -0.182   3.406  0.00  0.00    -0.202 F 
ATOM     10  N   LIG    1       -2.250   2.572   1.641  0.00  0.00    -0.129 NA
ATOM     11  C   LIG    1       -3.392  -0.711   0.750  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -1.395   2.318   0.660  0.00  0.00    -0.064 NA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     13  C   LIG    1        2.680   0.117   0.626  0.00  0.00    +0.164 C 
ATOM     14  N   LIG    1        1.247  -0.036   0.375  0.00  0.00    -0.286 N 
ATOM     15  C   LIG    1        0.634   0.746  -0.582  0.00  0.00    +0.241 C 
ATOM     16  O   LIG    1        1.285   1.612  -1.174  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        0.698  -1.109   1.188  0.00  0.00    +0.140 C 
ATOM     18  C   LIG    1        1.581  -1.067   2.432  0.00  0.00    +0.134 C 
ATOM     19  C   LIG    1        2.962  -0.695   1.899  0.00  0.00    +0.065 C 
BRANCH  13  23
ATOM     20  C   LIG    1        5.578  -0.309  -1.807  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        4.743   0.088  -0.701  0.00  0.00    -0.317 N 
ATOM     22  H   LIG    1        4.873   1.026  -0.342  0.00  0.00    +0.148 HD
ATOM     23  C   LIG    1        3.492  -0.477  -0.543  0.00  0.00    +0.233 C 
ATOM     24  O   LIG    1        3.090  -1.427  -1.214  0.00  0.00    -0.274 OA
ENDBRANCH  13  23
BRANCH  18  25
ATOM     25  O   LIG    1        1.124  -0.052   3.327  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        0.953   0.758   2.811  0.00  0.00    +0.210 HD
ENDBRANCH  18  25
ENDBRANCH   1  15
BRANCH   1  27
ATOM     27  C   LIG    1       -1.256   1.048  -2.284  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -2.766   0.966  -2.545  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -0.534   0.271  -3.396  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 5