REMARK  Name = BDB047711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.899  -0.481   0.383  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.043  -0.546  -0.690  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.000   0.769  -0.343  0.00  0.00    -0.046 A 
ATOM      4  C   LIG    1       -3.515   0.129  -1.488  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.185  -0.294  -1.553  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.312  -0.085  -0.483  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.784   0.566   0.654  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.117   0.991   0.722  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -5.439   1.232  -0.257  0.00  0.00    +0.053 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.480   0.204   0.275  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -6.051  -0.314   1.667  0.00  0.00    +0.023 C 
BRANCH  10  13
ATOM     12  C   LIG    1       -7.198  -0.697  -2.059  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -6.691  -1.017  -0.657  0.00  0.00    +0.015 C 
ENDBRANCH  10  13
BRANCH  10  14
ATOM     14  C   LIG    1       -7.837   0.884   0.471  0.00  0.00    +0.311 C 
ATOM     15  O   LIG    1       -8.740   0.498   1.197  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.030   1.978  -0.289  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -8.944   2.258  -0.068  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.643   0.853   0.352  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.620   0.993   1.514  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.540  -0.094   1.570  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.697  -0.047   0.841  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.583  -1.126   0.997  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        5.214  -2.439   2.066  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.795  -1.183   0.295  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        7.138  -0.159  -0.581  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        6.261   0.916  -0.740  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.050   0.975  -0.038  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        8.273  -0.071  -1.334  0.00  0.00    -0.483 OA
BRANCH  28  29
ATOM     29  C   LIG    1        9.210  -1.154  -1.316  0.00  0.00    +0.342 C 
BRANCH  29  30
ATOM     30  C   LIG    1       10.262  -1.025  -0.223  0.00  0.00    +0.424 C 
ATOM     31  F   LIG    1       11.184  -2.010  -0.345  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1       10.921   0.152  -0.296  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1        9.730  -1.131   1.014  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 14