REMARK  Name = BDB018196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.847   0.002  -0.723  0.00  0.00    +0.225 A 
ATOM      2  O   LIG    1        0.712  -0.507  -1.973  0.00  0.00    -0.339 OA
ATOM      3  N   LIG    1       -0.598  -0.890  -2.178  0.00  0.00    -0.076 NA
ATOM      4  C   LIG    1       -1.263  -0.605  -1.047  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1       -0.371  -0.037  -0.094  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.698  -0.883  -0.908  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.454  -0.308   0.131  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -4.829  -0.580   0.264  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -5.445  -1.437  -0.657  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.704  -2.007  -1.693  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.343  -1.732  -1.818  0.00  0.00    +0.010 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -5.588   0.007   1.321  0.00  0.00    -0.306 N 
ATOM     13  C   LIG    1       -5.138   0.869   2.301  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -6.084   1.232   3.138  0.00  0.00    -0.244 NA
ATOM     15  C   LIG    1       -7.206   0.593   2.700  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -6.931  -0.165   1.587  0.00  0.00    +0.112 A 
ENDBRANCH   8  12
ENDBRANCH   4   6
BRANCH   1  18
ATOM     17  C   LIG    1        3.198   0.481  -1.067  0.00  0.00    +0.258 C 
ATOM     18  N   LIG    1        2.064   0.444  -0.271  0.00  0.00    -0.252 N 
ATOM     19  H   LIG    1        2.116   0.842   0.661  0.00  0.00    +0.158 HD
ATOM     20  O   LIG    1        3.275   0.134  -2.240  0.00  0.00    -0.272 OA
BRANCH  17  23
ATOM     21  N   LIG    1        6.635   0.233   0.310  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        5.221  -0.254   0.208  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1        4.412   0.950  -0.279  0.00  0.00    +0.204 C 
ATOM     24  F   LIG    1        4.042   1.698   0.810  0.00  0.00    -0.230 F 
ATOM     25  C   LIG    1        5.423   1.738  -1.089  0.00  0.00    +0.071 C 
ATOM     26  C   LIG    1        6.685   1.611  -0.248  0.00  0.00    +0.120 C 
BRANCH  21  28
ATOM     27  N   LIG    1        8.305  -0.685   1.921  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        7.537  -0.261   1.168  0.00  0.00    +0.169 C 
ENDBRANCH  21  28
ENDBRANCH  17  23
ENDBRANCH   1  18
TORSDOF 5