REMARK  Name = BDB064954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157  -1.839  -0.446  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.827  -0.876  -0.722  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.179  -1.206  -0.957  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -2.492  -2.580  -0.935  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.529  -3.558  -0.682  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.210  -3.188  -0.432  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        3.166   0.014   1.050  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1        1.825  -0.355   0.892  0.00  0.00    +0.260 A 
ATOM      9  O   LIG    1        0.906   0.139   1.547  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        1.541  -1.417  -0.146  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        2.574  -1.961  -0.814  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.947  -1.578  -0.552  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        4.189  -0.622   0.357  0.00  0.00    +0.102 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.032  -2.279  -1.319  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1        5.010  -3.619  -1.104  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.276  -1.849  -0.983  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        4.901  -2.094  -2.658  0.00  0.00    -0.166 F 
ENDBRANCH  12  14
BRANCH   7  18
ATOM     18  C   LIG    1        3.480   1.029   2.073  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1        3.947   0.369   3.372  0.00  0.00    +0.045 C 
BRANCH  18  22
ATOM     20  C   LIG    1        6.248   3.812   0.742  0.00  0.00    +0.106 C 
ATOM     21  C   LIG    1        5.274   2.827   1.213  0.00  0.00    -0.104 C 
ATOM     22  C   LIG    1        4.472   2.019   1.598  0.00  0.00    -0.077 C 
ENDBRANCH  18  22
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1       -3.317  -0.095  -1.190  0.00  0.00    +0.056 C 
ATOM     24  C   LIG    1       -2.901   1.312  -1.738  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -4.050   1.258  -2.765  0.00  0.00    -0.012 C 
ATOM     26  C   LIG    1       -5.273   2.107  -2.460  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.164  -0.256  -2.501  0.00  0.00    +0.022 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.212   0.008   0.122  0.00  0.00    +0.144 A 
ATOM     29  N   LIG    1       -3.812   0.361   1.384  0.00  0.00    -0.320 N 
ATOM     30  C   LIG    1       -2.496   0.718   1.839  0.00  0.00    +0.151 C 
ATOM     31  C   LIG    1       -4.925   0.285   2.165  0.00  0.00    +0.224 A 
ATOM     32  N   LIG    1       -5.948  -0.095   1.438  0.00  0.00    -0.138 NA
ATOM     33  N   LIG    1       -5.498  -0.280   0.153  0.00  0.00    -0.134 NA
ENDBRANCH  23  28
ENDBRANCH   3  23
TORSDOF 6