REMARK  Name = BDB002058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.147   0.501   0.381  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -3.089   0.209  -0.455  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.744  -1.160  -0.843  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.753  -1.222  -2.011  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1       -0.569  -0.380  -1.794  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        0.631  -0.763  -2.393  0.00  0.00    +0.259 C 
ATOM      7  O   LIG    1        0.683  -1.761  -3.115  0.00  0.00    -0.271 OA
ATOM      8  C   LIG    1       -0.785   0.884  -1.075  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1       -2.264   1.287  -0.988  0.00  0.00    +0.130 C 
ATOM     10  O   LIG    1       -4.467   1.639   0.703  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.879   0.085  -2.100  0.00  0.00    +0.295 C 
ATOM     12  O   LIG    1        2.990  -0.338  -2.897  0.00  0.00    -0.380 OA
ATOM     13  N   LIG    1        4.172  -0.165  -2.140  0.00  0.00    -0.088 NA
ATOM     14  C   LIG    1        3.816  -0.040  -0.903  0.00  0.00    +0.091 C 
ATOM     15  C   LIG    1        2.346  -0.079  -0.672  0.00  0.00    +0.116 C 
BRANCH  14  16
ATOM     16  C   LIG    1        4.784   0.123   0.207  0.00  0.00    -0.000 A 
ATOM     17  C   LIG    1        6.145   0.279  -0.098  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        7.081   0.436   0.926  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        6.656   0.433   2.248  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        7.552   0.584   3.232  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.311   0.275   2.567  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        4.370   0.117   1.546  0.00  0.00    +0.012 A 
ENDBRANCH  14  16
ENDBRANCH   6  11
BRANCH   1  23
ATOM     23  O   LIG    1       -4.785  -0.622   0.809  0.00  0.00    -0.451 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -7.166  -0.186   0.880  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -5.902  -0.416   1.686  0.00  0.00    +0.230 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 4