REMARK  Name = BDB025410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.044   1.165  -0.445  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        1.359   0.650  -0.398  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        2.371   0.801  -1.359  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        3.449   0.092  -0.898  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.808  -0.163  -1.437  0.00  0.00    +0.068 C 
ATOM      6  C   LIG    1        5.733  -0.620  -0.291  0.00  0.00    +0.165 C 
ATOM      7  O   LIG    1        5.140  -1.691   0.469  0.00  0.00    -0.373 OA
ATOM      8  C   LIG    1        3.954  -1.266   1.188  0.00  0.00    +0.217 C 
ATOM      9  C   LIG    1        3.041  -0.445   0.337  0.00  0.00    +0.094 A 
ATOM     10  N   LIG    1        1.795  -0.100   0.666  0.00  0.00    -0.165 NA
ATOM     11  O   LIG    1       -0.309   1.819  -1.426  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -5.553  -0.908  -0.148  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.069  -1.110   0.003  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -3.191  -0.024   0.240  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -3.718   1.265   0.430  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.563   1.418  -0.114  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.790   2.380   0.335  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -1.569   2.118   1.199  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -0.840   0.841   0.755  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -1.816  -0.282   0.441  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -1.333  -1.598   0.347  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -2.201  -2.642   0.070  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -1.727  -3.891  -0.018  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -3.557  -2.412  -0.101  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   3  25
ATOM     25  N   LIG    1        2.229   1.525  -2.493  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        2.850   1.385  -3.285  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        1.295   1.851  -2.765  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
TORSDOF 2