REMARK  Name = BDB047279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.345  -2.760   1.407  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.734  -1.498   0.865  0.00  0.00    -0.492 OA
BRANCH   2  10
ATOM      3  C   LIG    1       -5.606   1.449  -2.141  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1       -5.274   2.007  -0.751  0.00  0.00    +0.203 C 
ATOM      5  O   LIG    1       -3.925   1.658  -0.402  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1       -3.724   0.433   0.171  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -4.750  -0.376   0.660  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -4.427  -1.620   1.217  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.095  -2.037   1.306  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.072  -1.216   0.835  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1       -6.182   0.056   0.567  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -2.395   0.019   0.270  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -6.267   1.555   0.331  0.00  0.00    +0.064 C 
BRANCH   4  14
ATOM     14  C   LIG    1       -5.345   3.539  -0.856  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -6.288   4.246  -0.533  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.250   4.107  -1.407  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -4.442   5.067  -1.394  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.173  -2.866   1.332  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.674  -2.846  -0.111  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.096  -2.965  -0.142  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.863  -1.830  -0.143  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.240  -1.998  -0.363  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        5.921  -3.569  -0.631  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.114  -0.903  -0.377  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.620   0.381  -0.165  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        4.254   0.554   0.062  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        3.380  -0.539   0.076  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.351   1.536  -0.150  0.00  0.00    -0.483 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.760   1.425  -0.384  0.00  0.00    +0.342 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.417   2.797  -0.339  0.00  0.00    +0.424 C 
ATOM     31  F   LIG    1        8.259   3.392   0.863  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1        9.749   2.684  -0.560  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1        7.921   3.623  -1.286  0.00  0.00    -0.167 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11