REMARK  Name = BDB058160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.689   0.191  -0.326  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -3.082   1.429  -0.783  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1       -2.414   2.094  -1.142  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1       -4.392   1.818  -0.887  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1       -4.715   2.912  -1.333  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -5.388   0.835  -0.437  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -4.915  -0.400   0.016  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1       -5.861  -1.342   0.438  0.00  0.00    +0.152 A 
ATOM      9  C   LIG    1       -7.226  -1.068   0.412  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1       -7.659   0.170  -0.044  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1       -8.970   0.439  -0.072  0.00  0.00    -0.205 F 
ATOM     12  F   LIG    1       -5.462  -2.544   0.880  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1       -6.754   1.131  -0.473  0.00  0.00    +0.054 A 
ATOM     14  N   LIG    1       -3.542  -0.707   0.054  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        1.535  -0.703  -0.261  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        1.088   0.619  -0.134  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -0.279   0.926  -0.150  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -1.228  -0.089  -0.301  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -0.797  -1.414  -0.411  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        0.568  -1.715  -0.395  0.00  0.00    +0.004 A 
BRANCH  15  25
ATOM     21  C   LIG    1        6.427   0.275   0.078  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        5.142   0.972   0.104  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1        4.308   0.561   1.238  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1        3.700  -0.835   1.102  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1        3.009  -1.091  -0.247  0.00  0.00    +0.021 C 
ATOM     26  C   LIG    1        3.812  -0.521  -1.428  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1        4.420   0.858  -1.165  0.00  0.00    +0.084 C 
ENDBRANCH  15  25
ENDBRANCH   1  18
TORSDOF 2