REMARK  Name = BDB051114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.615   0.171  -0.900  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.707  -0.496  -2.117  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.127  -0.207  -3.126  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.663  -1.490  -2.297  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.549  -1.798  -1.262  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.500  -1.100  -0.043  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.513  -0.119   0.134  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.094   2.392  -0.609  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.360   1.253  -0.706  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -1.711   0.937  -0.579  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -2.658   2.023  -0.330  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -3.705   1.605   0.699  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -4.557   0.394   0.222  0.00  0.00    -0.024 C 
ATOM     14  C   LIG    1       -4.945  -0.449   1.470  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -6.283  -1.163   1.291  0.00  0.00    +0.081 C 
ATOM     16  N   LIG    1       -7.399  -0.241   1.084  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -7.878  -0.062   1.967  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -7.017   1.036   0.480  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -5.849   0.886  -0.491  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -3.745  -0.464  -0.789  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1       -2.242  -0.428  -0.526  0.00  0.00    +0.108 C 
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1        3.467  -1.415   1.076  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.922  -1.461   0.629  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        5.665  -0.200   0.369  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        6.989  -0.318  -0.049  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        7.758   0.822  -0.318  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        7.194   2.088  -0.169  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.870   2.213   0.248  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.577  -1.657  -0.205  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1        8.739  -1.809  -0.567  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        6.752  -2.717   0.078  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1        7.143  -3.649  -0.022  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1        5.105   1.074   0.519  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1        5.457  -2.639   0.483  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 3