REMARK  Name = BDB009312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.090  -0.319  -0.716  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.465  -0.915  -1.915  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.545  -1.706  -1.987  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.280  -0.697  -3.069  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.421   0.108  -3.018  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.838   0.687  -1.806  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.063   0.474  -0.655  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.257  -1.096   1.453  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.852  -0.562   0.520  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.181  -0.160   0.590  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1       -2.858   0.676  -0.411  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -4.019   1.489   0.178  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1       -4.976   0.652   0.902  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1       -6.307   1.036   0.937  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -6.728   2.072   0.435  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.445  -0.544   1.566  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1       -2.933  -0.469   1.808  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -7.257   0.128   1.639  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -7.634  -1.208   1.042  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -8.639  -0.098   1.065  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1        3.071   1.566  -1.784  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.920   1.434  -0.524  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        4.877   0.291  -0.394  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.989  -0.750  -1.472  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        5.771  -1.994  -1.038  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        7.018  -1.616  -0.249  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.653  -0.807   0.998  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        5.617   0.249   0.728  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        5.442   1.287   1.775  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        6.095   1.275   2.813  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        4.512   2.254   1.509  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        4.376   2.971   2.214  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        3.758   2.352   0.382  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4