REMARK  Name = BDB047595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.712  -0.859   1.584  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.958  -2.220   1.436  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.208  -2.703   1.471  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.097  -3.104   1.234  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.408  -2.623   1.195  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.672  -1.256   1.373  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.600  -0.372   1.570  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -6.880   1.097  -1.086  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1       -5.651   0.554  -0.495  0.00  0.00    -0.304 NA
ATOM     10  C   LIG    1       -4.813   1.653   0.021  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -3.838   1.230   1.135  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -2.699   0.386   0.779  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1       -1.815   0.082   1.818  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -1.877   0.595   2.935  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.581  -0.114  -0.589  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -3.735  -1.029  -0.975  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -4.956  -0.271  -1.493  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  C   LIG    1        3.090  -0.733   1.324  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.562  -0.269  -0.051  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        4.926   0.313  -0.165  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.341   0.733  -1.427  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        6.612   1.291  -1.612  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        7.472   1.429  -0.524  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.064   1.010   0.742  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.428   0.580  -2.570  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        4.750   0.935  -3.699  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        3.207   0.018  -2.294  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        2.563  -0.098  -3.071  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        5.795   0.451   0.925  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        2.771  -0.399  -1.077  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3