REMARK  Name = BDB063217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.022  -0.928  -0.025  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1        1.264  -0.818   0.957  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.083  -1.908  -0.299  0.00  0.00    +0.252 C 
ATOM      4  O   LIG    1       -0.098  -2.370  -1.422  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.773  -2.289   0.917  0.00  0.00    +0.281 C 
ATOM      6  F   LIG    1        0.016  -2.304   2.042  0.00  0.00    -0.230 F 
BRANCH   5   7
ATOM      7  C   LIG    1       -1.944  -1.335   1.066  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -2.867  -1.163   0.022  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.932  -0.256   0.136  0.00  0.00    -0.044 A 
ATOM     10  C   LIG    1       -4.859  -0.068  -1.042  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1       -6.163   0.637  -0.675  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -5.882   1.868   0.176  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -5.220   1.466   1.493  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -4.075   0.499   1.312  0.00  0.00    -0.044 A 
ATOM     15  C   LIG    1       -3.172   0.305   2.366  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.117  -0.600   2.244  0.00  0.00    +0.007 A 
ENDBRANCH   5   7
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.967  -0.438  -1.030  0.00  0.00    +0.117 C 
BRANCH  17  22
ATOM     18  C   LIG    1        7.256  -0.387   1.463  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.889  -0.411   0.846  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        4.909   0.499   1.257  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.646   0.499   0.660  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.342  -0.402  -0.374  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        4.330  -1.308  -0.785  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        5.593  -1.306  -0.187  0.00  0.00    +0.004 A 
ENDBRANCH  17  22
BRANCH  17  25
ATOM     25  C   LIG    1        1.512   0.926  -1.599  0.00  0.00    +0.119 C 
ATOM     26  C   LIG    1        2.593   1.631  -2.433  0.00  0.00    +0.021 C 
BRANCH  25  27
ATOM     27  C   LIG    1        0.300   0.732  -2.495  0.00  0.00    +0.310 C 
ATOM     28  O   LIG    1        0.358   0.529  -3.699  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -0.883   0.846  -1.849  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -0.816   0.929  -0.879  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 7