REMARK  Name = BDB047360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.485   0.145  -2.516  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.478  -0.062   0.617  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -4.287   0.144   1.444  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -3.242   0.129   0.561  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -3.630   0.183  -0.762  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.688   0.192  -1.777  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.330   0.131  -1.439  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -0.949   0.082  -0.087  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -1.915   0.084   0.927  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -5.106   0.287  -0.841  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -7.879   0.900   0.434  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -6.567   0.855   1.205  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1       -5.890  -1.535   0.780  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -5.548  -2.307   1.663  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.759  -1.969  -0.160  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.915  -2.904   0.094  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.913  -0.035  -2.286  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.593   1.314  -2.059  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.086   1.161  -1.797  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.251   0.421  -0.589  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.522   0.145  -0.165  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.644  -0.629   1.000  0.00  0.00    +0.084 A 
ATOM     23 CL   LIG    1        3.245  -1.209   1.840  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.901  -0.962   1.516  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        7.059  -0.515   0.879  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1        6.944   0.244  -0.290  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        5.685   0.578  -0.806  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  S   LIG    1        8.680  -0.937   1.484  0.00  0.00    -0.016 S 
BRANCH  28  29
ATOM     29  C   LIG    1        8.664  -0.044   3.043  0.00  0.00    +0.448 C 
ATOM     30  F   LIG    1        8.378   1.268   2.868  0.00  0.00    -0.160 F 
ATOM     31  F   LIG    1        7.753  -0.552   3.905  0.00  0.00    -0.160 F 
ATOM     32  F   LIG    1        9.873  -0.113   3.651  0.00  0.00    -0.160 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11