REMARK  Name = BDB064941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.751  -0.080  -1.167  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.327  -0.108  -0.250  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.627   0.338  -0.557  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.841   0.844  -1.848  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        0.806   0.902  -2.780  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.466   0.450  -2.439  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.704   0.298   0.417  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1        2.686  -0.672   1.449  0.00  0.00    +0.256 A 
ATOM      9  O   LIG    1        1.843  -1.547   1.639  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        3.838  -0.650   2.396  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        4.832   0.232   2.259  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        4.806   1.206   1.191  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        3.771   1.200   0.334  0.00  0.00    +0.107 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.941   2.188   1.107  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1        6.034   2.942   2.233  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        7.135   1.563   0.951  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        5.809   3.051   0.067  0.00  0.00    -0.166 F 
ENDBRANCH  12  14
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.236  -0.600  -0.806  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -2.443  -1.625   0.366  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -2.303  -2.761  -0.674  0.00  0.00    -0.012 C 
ATOM     21  C   LIG    1       -3.162  -3.990  -0.454  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -2.802  -1.747  -1.730  0.00  0.00    +0.022 C 
BRANCH  18  25
ATOM     23  C   LIG    1       -2.363   1.742   1.395  0.00  0.00    +0.151 C 
ATOM     24  N   LIG    1       -3.231   1.609   0.259  0.00  0.00    -0.320 N 
ATOM     25  C   LIG    1       -3.217   0.635  -0.702  0.00  0.00    +0.144 A 
ATOM     26  N   LIG    1       -4.158   0.898  -1.585  0.00  0.00    -0.134 NA
ATOM     27  N   LIG    1       -4.804   2.046  -1.190  0.00  0.00    -0.138 NA
ATOM     28  C   LIG    1       -4.235   2.461  -0.084  0.00  0.00    +0.224 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 4