REMARK  Name = BDB047359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.171  -1.861  -1.799  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.071  -0.714  -0.943  0.00  0.00    -0.492 OA
BRANCH   2   8
ATOM      3  C   LIG    1       -5.689   0.772  -0.787  0.00  0.00    +0.210 C 
ATOM      4  O   LIG    1       -5.014   0.728   0.502  0.00  0.00    -0.474 OA
ATOM      5  C   LIG    1       -3.734   0.334   0.228  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.429   0.320  -1.123  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.163  -0.028  -1.564  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -1.215  -0.394  -0.604  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -1.521  -0.354   0.764  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -2.801   0.010   1.191  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -4.606   0.776  -1.897  0.00  0.00    +0.098 C 
BRANCH   3  13
ATOM     12  C   LIG    1       -7.566   2.159   0.297  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -6.532   2.066  -0.823  0.00  0.00    +0.057 C 
ENDBRANCH   3  13
BRANCH   3  14
ATOM     14  C   LIG    1       -6.592  -0.475  -0.952  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -6.702  -1.379  -0.133  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.296  -0.511  -2.115  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.176   0.246  -2.717  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.510  -3.108  -0.982  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.788  -2.953  -0.158  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.889  -2.707  -1.042  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.805  -1.875  -0.452  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.822  -2.350   0.381  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        4.997  -4.030   0.735  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.731  -1.452   0.949  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.641  -0.078   0.673  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1        4.632   0.382  -0.186  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.722  -0.514  -0.751  0.00  0.00    +0.047 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.611   0.894   1.301  0.00  0.00    +0.044 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.961   1.679   2.439  0.00  0.00    +0.118 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.949   2.630   3.071  0.00  0.00    +0.390 C 
ATOM     31  F   LIG    1        6.357   3.354   4.049  0.00  0.00    -0.171 F 
ATOM     32  F   LIG    1        7.986   1.963   3.624  0.00  0.00    -0.171 F 
ATOM     33  F   LIG    1        7.447   3.497   2.162  0.00  0.00    -0.171 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12