REMARK  Name = BDB063598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.711   0.576   0.735  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.144   0.729   0.898  0.00  0.00    -0.224 N 
ATOM      3  C   LIG    1        3.069  -0.204   0.504  0.00  0.00    +0.316 C 
ATOM      4  O   LIG    1        2.776  -1.279   0.001  0.00  0.00    -0.252 OA
ATOM      5  N   LIG    1        4.348   0.313   0.767  0.00  0.00    -0.246 N 
ATOM      6  C   LIG    1        4.249   1.649   1.312  0.00  0.00    +0.211 C 
ATOM      7  C   LIG    1        2.754   1.863   1.336  0.00  0.00    +0.241 C 
ATOM      8  O   LIG    1        2.205   2.898   1.688  0.00  0.00    -0.273 OA
BRANCH   5   9
ATOM      9  C   LIG    1        5.598  -0.321   0.535  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        5.691  -1.615   0.008  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        6.933  -2.226  -0.212  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        8.124  -1.561   0.098  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        8.043  -0.265   0.619  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        6.799   0.342   0.837  0.00  0.00    +0.024 A 
BRANCH  12  15
ATOM     15  C   LIG    1        9.460  -2.212  -0.159  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        9.437  -3.564   0.006  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.906  -1.996  -1.427  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       10.444  -1.755   0.666  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   5   9
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        0.251   1.041  -0.649  0.00  0.00    +0.054 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -3.681  -1.751  -2.048  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -3.163  -0.468  -1.467  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -4.016   0.560  -1.036  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1       -3.494   1.785  -0.586  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -4.385   2.932  -0.200  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -2.105   1.926  -0.454  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -1.240   0.888  -0.818  0.00  0.00    -0.045 A 
ATOM     27  C   LIG    1       -1.777  -0.301  -1.324  0.00  0.00    +0.010 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -5.373   0.428  -1.139  0.00  0.00    -0.475 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -6.064  -0.233  -0.056  0.00  0.00    +0.200 C 
ATOM     30  C   LIG    1       -5.261  -0.479   1.236  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -7.269   0.657   0.289  0.00  0.00    +0.067 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -6.627  -1.571  -0.563  0.00  0.00    +0.348 C 
ATOM     33  O   LIG    1       -6.547  -2.658  -0.009  0.00  0.00    -0.247 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -7.281  -1.479  -1.742  0.00  0.00    -0.478 OA
ATOM     35  H   LIG    1       -7.561  -2.397  -1.936  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9