REMARK  Name = BDB047368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.160  -0.098   1.651  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.500  -0.298  -0.874  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -5.366   0.753   0.134  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -4.081   0.649   0.590  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -3.377  -0.413   0.059  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.063  -0.646   0.431  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.457   0.216   1.353  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.186   1.293   1.886  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.514   1.513   1.503  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -4.235  -1.183  -0.869  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -4.767   1.363  -2.709  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -5.809   0.356  -2.235  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1       -6.708  -1.159  -0.479  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.080  -2.150  -1.091  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.348  -0.710   0.630  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.892   0.090   0.975  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.519   0.741   2.584  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.938   0.221   2.773  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.727   0.208   1.466  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        4.065  -0.187   1.772  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.967  -0.257   0.744  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        6.284  -0.607   1.080  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        6.740  -0.931   2.717  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        7.274  -0.705   0.096  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        6.969  -0.448  -1.248  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1        5.651  -0.108  -1.584  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.661  -0.010  -0.598  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.030  -0.576  -2.312  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        8.129  -1.845  -2.792  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.798   0.218  -3.394  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        9.274  -0.243  -1.867  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10