REMARK  Name = BDB017194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.715   1.011   0.383  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -0.120   0.271   1.436  0.00  0.00    +0.095 C 
ATOM      3  N   LIG    1       -1.567   0.274   1.157  0.00  0.00    -0.301 NA
ATOM      4  C   LIG    1       -2.021   1.487   0.456  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1       -1.148   2.704   0.759  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1        0.285   2.482   0.273  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.675   1.461   1.738  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1        2.182   0.891   0.768  0.00  0.00    +0.169 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.025  -0.057   0.010  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        3.305   0.092  -1.351  0.00  0.00    +0.051 A 
ATOM     11 CL   LIG    1        2.750   1.436  -2.279  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        4.101  -0.859  -1.998  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        4.624  -1.943  -1.288  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.362  -2.077   0.074  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.569  -1.133   0.726  0.00  0.00    +0.013 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.999  -0.953   0.479  0.00  0.00    +0.088 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.494  -1.077   0.504  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -4.337  -0.672  -0.681  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.172  -2.126  -0.344  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4