REMARK  Name = BDB025469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.771  -0.759  -1.502  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.809  -0.251  -0.620  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.564  -0.037  -0.871  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1        1.012  -0.247  -1.998  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -1.362   0.071   0.593  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1       -2.661  -0.199   0.445  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -3.678  -0.024   1.532  0.00  0.00    +0.138 C 
ATOM      8  N   LIG    1       -5.049  -0.051   0.968  0.00  0.00    -0.310 NA
ATOM      9  H   LIG    1       -5.708  -0.121   1.742  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -5.243  -1.192   0.051  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -4.349  -1.103  -1.209  0.00  0.00    +0.055 C 
ATOM     12  C   LIG    1       -2.965  -0.724  -0.829  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.359   0.495   0.316  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        2.812   0.044   0.255  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1        3.829   0.939  -0.125  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        5.160   0.493  -0.128  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.474  -0.832   0.177  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        4.457  -1.712   0.513  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        4.754  -2.984   0.810  0.00  0.00    -0.205 F 
ATOM     20  N   LIG    1        3.572   2.298  -0.352  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1        4.245   2.712  -0.994  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        2.194   2.652  -0.656  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        3.134  -1.290   0.559  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.257   2.025   0.365  0.00  0.00    +0.036 C 
ENDBRANCH   3  13
BRANCH   1  25
ATOM     25  N   LIG    1       -1.492  -1.185  -2.755  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -0.569  -0.992  -3.159  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -2.224  -1.299  -3.449  0.00  0.00    +0.144 HD
ENDBRANCH   1  25
TORSDOF 2