REMARK  Name = BDB008917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.566  -0.773   2.153  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1       -2.899   3.851   0.264  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -2.412   2.792   0.647  0.00  0.00    +0.268 A 
ATOM      4  C   LIG    1       -2.872   1.483   0.120  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -3.990   1.521  -0.885  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1       -4.637   0.153  -1.109  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -3.579  -0.937  -1.228  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -2.707  -1.006   0.030  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -2.302   0.344   0.551  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -1.234   0.479   1.591  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1       -0.825   1.618   2.066  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1       -1.413   2.744   1.581  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1       -1.087   3.628   1.955  0.00  0.00    +0.192 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.555  -1.312   1.291  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        1.556  -0.462   0.783  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.619  -0.950  -0.003  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        2.650  -2.330  -0.254  0.00  0.00    +0.131 A 
ATOM     18  F   LIG    1        3.638  -2.864  -0.990  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        1.681  -3.191   0.256  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        0.641  -2.686   1.032  0.00  0.00    +0.007 A 
BRANCH  16  21
ATOM     21  C   LIG    1        3.651  -0.037  -0.531  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1        4.266   0.917   0.290  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.226   1.759  -0.251  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        5.615   1.723  -1.542  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        5.019   0.800  -2.323  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        4.050  -0.084  -1.872  0.00  0.00    +0.028 A 
ENDBRANCH  16  21
ENDBRANCH   1  14
TORSDOF 3