REMARK  Name = BDB047264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.961  -1.787   2.476  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.361  -2.813   1.513  0.00  0.00    +0.082 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.749  -2.214   0.650  0.00  0.00    +0.232 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.851  -1.894   1.498  0.00  0.00    -0.490 OA
BRANCH   4   9
ATOM      5  C   LIG    1       -5.306  -0.033  -0.057  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -5.155  -0.328   1.307  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.994  -0.947   1.794  0.00  0.00    +0.083 A 
ATOM      8 CL   LIG    1       -3.903  -1.268   3.494  0.00  0.00    -0.080 Cl
ATOM      9  C   LIG    1       -2.944  -1.294   0.933  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -3.084  -1.012  -0.425  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.245  -0.393  -0.908  0.00  0.00    +0.008 A 
BRANCH   5  12
ATOM     12  C   LIG    1       -6.564   0.650  -0.627  0.00  0.00    -0.010 C 
ATOM     13  C   LIG    1       -7.632   0.984   0.442  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -7.237  -0.324  -1.626  0.00  0.00    +0.016 C 
BRANCH  12  16
ATOM     15  C   LIG    1       -5.529   3.041  -0.556  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -6.197   1.956  -1.396  0.00  0.00    +0.007 C 
ENDBRANCH  12  16
ENDBRANCH   5  12
ENDBRANCH   4   9
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        1.574  -0.709   1.767  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.877  -0.823   1.376  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        3.395   0.315   0.751  0.00  0.00    +0.091 A 
ATOM     20  C   LIG    1        4.711   0.342   0.288  0.00  0.00    +0.129 A 
ATOM     21  O   LIG    1        5.108   1.503  -0.313  0.00  0.00    -0.474 OA
ATOM     22  C   LIG    1        6.372   1.500  -1.000  0.00  0.00    +0.203 C 
ATOM     23  C   LIG    1        7.423   0.683  -0.234  0.00  0.00    +0.064 C 
ATOM     24  C   LIG    1        6.958  -0.748  -0.014  0.00  0.00    +0.043 C 
ATOM     25  C   LIG    1        6.130   1.007  -2.434  0.00  0.00    +0.068 C 
ATOM     26  C   LIG    1        5.540  -0.765   0.467  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        5.019  -1.912   1.079  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        3.695  -1.940   1.531  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     29  C   LIG    1        6.846   2.972  -1.057  0.00  0.00    +0.349 C 
ATOM     30  O   LIG    1        6.274   3.919  -0.534  0.00  0.00    -0.246 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.000   3.168  -1.749  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        8.400   2.373  -2.144  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  22  29
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10