REMARK  Name = BDB028313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.788   0.101  -1.141  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.925   0.772  -0.651  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.216   0.277  -0.890  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.374  -0.903  -1.609  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.728  -1.435  -1.833  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.759  -0.709  -1.290  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.701  -1.062  -1.431  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.643   0.456  -0.598  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.911  -2.468  -2.466  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.260  -1.585  -2.106  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.451   0.945  -0.406  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.977  -1.083  -1.874  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.845   0.344  -0.062  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.561  -0.169  -0.300  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.563   0.622  -0.889  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.924   1.926  -1.226  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        2.150   2.464  -1.024  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        3.074   1.664  -0.448  0.00  0.00    +0.119 A 
BRANCH  13  20
ATOM     19  C   LIG    1        3.876  -0.859   1.911  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        3.902  -0.471   0.552  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.990  -0.886  -0.238  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        6.008  -1.661   0.309  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1        7.031  -2.046  -0.465  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        5.980  -2.043   1.642  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.914  -1.642   2.446  0.00  0.00    +0.022 A 
BRANCH  19  27
ATOM     26  N   LIG    1        1.951  -0.159   3.509  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        2.807  -0.462   2.788  0.00  0.00    +0.100 C 
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -4.355   2.264   0.356  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.933   1.993   1.731  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -4.627   1.381   2.166  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -3.966   2.861   2.266  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5