REMARK  Name = BDB000229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.013  -1.373  -0.130  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.673  -2.695  -0.362  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1       -1.590  -3.620  -0.678  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1        0.654  -3.017  -0.269  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1        1.611  -2.119   0.032  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.217  -0.854   0.248  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -0.068  -0.460   0.180  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.384  -1.017  -0.192  0.00  0.00    -0.296 N 
ATOM      9  H   LIG    1       -2.827  -1.480  -0.991  0.00  0.00    +0.154 HD
BRANCH   8  11
ATOM     10  C   LIG    1       -4.166   0.649  -0.607  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1       -2.998   0.232   0.074  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.507   1.063   1.098  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -3.119   2.279   1.415  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.253   2.688   0.723  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.777   1.875  -0.280  0.00  0.00    +0.017 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -5.867   0.177  -2.251  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -4.827  -0.126  -1.694  0.00  0.00    +0.339 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -4.165  -1.242  -2.063  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -4.737  -1.605  -2.776  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   6  20
ATOM     20  N   LIG    1        2.118   0.159   0.560  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.611   1.027   0.656  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.505   0.215   0.729  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.093   1.456   1.025  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.474   1.585   1.208  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.295   0.469   1.099  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.734  -0.770   0.807  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.351  -0.893   0.624  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6