REMARK  Name = BDB023875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.452   5.367  -1.067  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.911   3.940  -1.221  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.120   2.948  -0.657  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.652   1.575  -0.739  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.576   0.581  -0.471  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.591  -0.833  -0.546  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.597  -1.341  -0.186  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.370  -0.273   0.103  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.694   0.903  -0.038  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.160   2.294   0.185  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -0.071   3.210   0.353  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.947   3.688  -1.839  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.696  -1.704  -0.940  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.270  -2.641  -0.034  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.347  -3.443  -0.470  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -3.931  -4.362   0.413  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -3.439  -4.460   1.702  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -2.419  -3.717   2.167  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -3.815  -3.303  -1.784  0.00  0.00    +0.131 A 
ATOM     20  F   LIG    1       -4.838  -4.058  -2.216  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.250  -2.392  -2.670  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -1.860  -2.839   1.297  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -2.191  -1.593  -2.250  0.00  0.00    +0.013 A 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1        2.737  -0.529   0.540  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        2.918  -0.306   2.044  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        4.359  -0.587   2.439  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1        5.253   0.206   1.658  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        5.181  -0.106   0.267  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1        3.797   0.221  -0.272  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2