REMARK  Name = BDB047361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.713  -0.335  -0.581  0.00  0.00    +0.212 C 
ATOM      2  O   LIG    1       -4.584  -1.255   0.559  0.00  0.00    -0.474 OA
ATOM      3  C   LIG    1       -3.296  -1.104   0.995  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -2.601  -0.091   0.364  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.281   0.186   0.691  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.663  -0.590   1.675  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.388  -1.616   2.311  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -2.718  -1.879   1.976  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.486   0.603  -0.603  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -6.323   1.443  -1.542  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -6.088   0.381  -0.461  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -6.306   1.010   0.923  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   1  13
ATOM     13  C   LIG    1       -4.714  -1.230  -1.839  0.00  0.00    +0.350 C 
ATOM     14  O   LIG    1       -4.556  -0.827  -2.983  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.934  -2.541  -1.564  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -4.980  -2.672  -0.591  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  O   LIG    1        0.625  -0.465   2.114  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.461   0.545   1.549  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.123   0.069   0.255  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.027  -1.145   0.475  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.106  -0.835   1.357  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.276  -0.326   0.863  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        6.320  -0.145   1.786  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        6.126  -0.548   3.457  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        7.554   0.369   1.379  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        7.761   0.716   0.045  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.732   0.558  -0.893  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        5.495   0.029  -0.473  0.00  0.00    +0.059 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.950   0.916  -2.344  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        7.922   1.853  -2.526  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.318  -0.160  -3.091  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.832   1.420  -2.937  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 10