REMARK  Name = BDB047365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.759  -0.138  -0.635  0.00  0.00    +0.215 C 
ATOM      2  O   LIG    1       -4.230  -1.371  -0.028  0.00  0.00    -0.473 OA
ATOM      3  C   LIG    1       -2.872  -1.303  -0.171  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -2.422  -0.133  -0.747  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.068   0.084  -0.965  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.166  -0.915  -0.588  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -0.642  -2.101   0.001  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -2.007  -2.303   0.215  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.563   0.770  -1.027  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -6.954  -0.459   0.663  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -5.777   0.505   0.379  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1       -6.360   1.834  -0.141  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -5.094   0.783   1.740  0.00  0.00    +0.015 C 
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -5.468  -0.582  -1.935  0.00  0.00    +0.350 C 
ATOM     15  O   LIG    1       -5.883   0.178  -2.798  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.605  -1.929  -2.041  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.176  -2.366  -1.271  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  O   LIG    1        1.193  -0.865  -0.734  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.744   0.316  -1.326  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.265   0.168  -1.383  0.00  0.00    +0.270 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.791   0.348  -0.065  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.146   0.257   0.107  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.637   0.473   1.404  0.00  0.00    +0.086 A 
ATOM     24 CL   LIG    1        4.569   0.843   2.716  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        7.009   0.401   1.683  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        7.913   0.110   0.664  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1        7.427  -0.107  -0.628  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        6.058  -0.035  -0.909  0.00  0.00    +0.051 A 
BRANCH  26  29
ATOM     29  O   LIG    1        9.269   0.008   0.781  0.00  0.00    -0.406 OA
BRANCH  29  30
ATOM     30  C   LIG    1        9.845   0.225   2.058  0.00  0.00    +0.575 C 
ATOM     31  F   LIG    1       11.185   0.085   1.958  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1        9.584   1.473   2.502  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        9.393  -0.678   2.954  0.00  0.00    -0.133 F 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 10