REMARK  Name = BDB047183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.093  -1.554  -0.125  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        1.035  -0.877  -0.624  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        2.150  -0.611   0.190  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        2.117  -1.059   1.511  0.00  0.00    +0.147 A 
ATOM      5  F   LIG    1        3.124  -0.807   2.359  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        1.018  -1.752   2.015  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -0.084  -2.003   1.200  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.270   0.106  -0.347  0.00  0.00    -0.248 N 
ATOM      9  C   LIG    1        3.200   1.085  -1.323  0.00  0.00    +0.204 A 
ATOM     10  C   LIG    1        4.420   1.518  -1.713  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        5.850   1.678  -1.845  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1        5.388   0.744  -0.846  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        4.615  -0.028  -0.048  0.00  0.00    +0.204 A 
BRANCH   9  14
ATOM     14  O   LIG    1        2.025   1.555  -1.757  0.00  0.00    -0.493 OA
ATOM     15  H   LIG    1        2.228   2.271  -2.388  0.00  0.00    +0.294 HD
ENDBRANCH   9  14
BRANCH  13  16
ATOM     16  O   LIG    1        5.114  -0.883   0.848  0.00  0.00    -0.493 OA
ATOM     17  H   LIG    1        4.436  -1.129   1.499  0.00  0.00    +0.294 HD
ENDBRANCH  13  16
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.279  -1.820  -1.026  0.00  0.00    +0.093 C 
BRANCH  18  26
ATOM     19  O   LIG    1       -6.131  -0.381   1.218  0.00  0.00    -0.266 OA
ATOM     20  C   LIG    1       -5.047  -0.638   0.708  0.00  0.00    +0.272 A 
ATOM     21  C   LIG    1       -4.185   0.421   0.159  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -2.962   0.076  -0.413  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -2.143   1.084  -0.936  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.552   2.421  -0.879  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.776   2.758  -0.304  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.604  -1.366  -0.427  0.00  0.00    +0.074 A 
ATOM     27  N   LIG    1       -3.378  -2.292   0.063  0.00  0.00    -0.175 NA
ATOM     28  C   LIG    1       -4.596   1.759   0.216  0.00  0.00    +0.014 A 
ATOM     29  N   LIG    1       -4.565  -1.920   0.611  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -5.148  -2.664   0.982  0.00  0.00    +0.192 HD
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5