REMARK  Name = BDB057966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396  -0.015   1.059  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.431   0.694   0.179  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.468   1.499   0.672  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.645   1.596   2.060  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.832   0.875   2.938  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.183   0.060   2.440  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.076  -3.430   0.707  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -3.649  -2.015   0.773  0.00  0.00    +0.093 C 
ATOM      9  N   LIG    1       -2.680  -0.973   1.176  0.00  0.00    -0.286 N 
ATOM     10  C   LIG    1       -1.457  -0.888   0.494  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -1.212  -1.516  -0.533  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.330   0.292   1.562  0.00  0.00    +0.184 C 
ATOM     13  C   LIG    1       -4.314   0.673   0.501  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -4.893   1.836   0.303  0.00  0.00    -0.132 NA
ATOM     15  N   LIG    1       -5.731   1.712  -0.783  0.00  0.00    -0.125 NA
ATOM     16  C   LIG    1       -5.653   0.472  -1.235  0.00  0.00    +0.238 A 
ATOM     17  N   LIG    1       -4.779  -0.215  -0.438  0.00  0.00    -0.305 N 
ATOM     18  C   LIG    1       -4.357  -1.604  -0.528  0.00  0.00    +0.147 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -6.359  -0.138  -2.385  0.00  0.00    +0.452 C 
ATOM     20  F   LIG    1       -7.099   0.743  -3.101  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -5.488  -0.720  -3.253  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1       -7.202  -1.126  -1.980  0.00  0.00    -0.163 F 
ENDBRANCH  16  19
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        2.353   2.272  -0.279  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.841   2.050  -0.035  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        4.495   0.801  -0.505  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.855   0.656  -0.233  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        6.547  -0.492  -0.639  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        5.872  -1.502  -1.322  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.513  -1.364  -1.598  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.562   1.726   0.487  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        7.757   1.641   0.749  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        5.808   2.816   0.843  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        6.280   3.567   1.338  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        3.824  -0.216  -1.194  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        4.481   2.988   0.600  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4