REMARK  Name = BDB047708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.101  -0.913  -1.430  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.764   0.393  -0.513  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -2.672   1.129  -0.038  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.360   0.728  -0.319  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.123  -0.412  -1.085  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.210  -1.144  -1.568  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.519  -0.746  -1.288  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -5.181   0.825  -0.207  0.00  0.00    +0.053 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.811   0.288   1.110  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -5.013   0.752   2.343  0.00  0.00    +0.023 C 
BRANCH   9  12
ATOM     11  C   LIG    1       -6.574  -1.881   2.323  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -5.916  -1.262   1.092  0.00  0.00    +0.015 C 
ENDBRANCH   9  12
BRANCH   9  13
ATOM     13  C   LIG    1       -7.221   0.876   1.126  0.00  0.00    +0.311 C 
ATOM     14  O   LIG    1       -8.204   0.411   0.569  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.324   2.053   1.772  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -8.267   2.297   1.668  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.249  -0.204  -0.966  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.486  -0.939  -1.465  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.767  -0.242  -1.031  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        4.874  -1.002  -1.532  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        6.058  -0.478  -1.084  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        6.690  -0.979   0.058  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        5.987  -2.246   0.995  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        7.917  -0.449   0.463  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        8.534   0.572  -0.281  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1        7.894   1.055  -1.434  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        6.667   0.525  -1.839  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        9.850   1.154   0.175  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        9.687   2.095   1.145  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       10.690   0.218   0.697  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       10.544   1.762  -0.826  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 12