REMARK  Name = BDB028262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.681   0.492  -0.070  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.289   0.415  -0.584  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.935   1.313  -1.588  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.643   1.308  -2.127  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.299   0.392  -1.660  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.042  -0.519  -0.654  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.940   2.261  -2.096  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -2.664   3.075  -2.971  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.191   2.169  -1.540  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.900   2.813  -1.878  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.343  -0.512  -0.126  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -4.567   1.318  -0.549  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.933  -1.490  -0.172  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.129  -1.192   0.464  0.00  0.00    -0.296 N 
ATOM     15  C   LIG    1        2.747  -2.409   0.743  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        4.011  -2.367   1.393  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.553  -1.180   1.723  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        3.881   0.082   1.438  0.00  0.00    +0.147 A 
ATOM     19  N   LIG    1        2.017  -3.428   0.349  0.00  0.00    -0.235 NA
ATOM     20  C   LIG    1        2.685   0.043   0.815  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        0.897  -2.874  -0.210  0.00  0.00    +0.139 A 
BRANCH  18  22
ATOM     22  O   LIG    1        4.587   1.176   1.859  0.00  0.00    -0.404 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.030   2.460   1.629  0.00  0.00    +0.575 C 
ATOM     24  F   LIG    1        2.845   2.590   2.263  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1        3.856   2.678   0.308  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        4.875   3.397   2.108  0.00  0.00    -0.133 F 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -4.138  -0.439   1.052  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.736  -1.643   0.471  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.550  -1.357  -0.078  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -4.096  -2.078  -0.190  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5