REMARK  Name = BDB047270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.375  -1.057   0.094  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -7.855   1.033  -2.097  0.00  0.00    +0.068 C 
ATOM      3  C   LIG    1       -7.184   0.380  -0.879  0.00  0.00    +0.203 C 
ATOM      4  O   LIG    1       -5.806   0.234  -1.254  0.00  0.00    -0.474 OA
ATOM      5  C   LIG    1       -4.912   0.027  -0.237  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -5.207   0.256   1.109  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1       -4.218   0.015   2.069  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.951  -0.423   1.678  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.654  -0.639   0.330  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -6.566   0.721   1.530  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -3.640  -0.406  -0.626  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -7.315   1.306   0.341  0.00  0.00    +0.064 C 
BRANCH   3  13
ATOM     13  C   LIG    1       -7.863  -0.996  -0.648  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.309  -2.080  -0.770  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -9.173  -0.928  -0.298  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -9.562  -0.036  -0.261  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   3  13
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  C   LIG    1       -1.014  -1.464  -1.227  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.509  -0.281  -2.054  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.741   0.358  -1.451  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.811  -0.582  -1.531  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.024  -0.222  -1.006  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.045  -1.183  -1.053  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        3.776  -2.749  -1.740  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.318  -0.903  -0.543  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.603   0.346   0.025  0.00  0.00    -0.043 A 
ATOM     26  C   LIG    1        4.580   1.301   0.074  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.306   1.023  -0.437  0.00  0.00    +0.047 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.968   0.671   0.594  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        8.143   0.386  -0.363  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1        8.991  -0.676   0.326  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        8.765  -0.413   1.805  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        7.274  -0.122   1.877  0.00  0.00    +0.008 C 
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9