REMARK  Name = BDB045525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.163   0.665   0.732  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.616  -0.496   0.645  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.006  -0.429   0.511  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.633   0.817   0.455  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.865   1.979   0.572  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.472   1.901   0.707  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.106   0.950   0.326  0.00  0.00    +0.193 C 
ATOM      8  O   LIG    1        4.676   1.881   0.889  0.00  0.00    -0.287 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.911  -0.014  -0.467  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        4.426  -0.577  -1.654  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.224  -1.466  -2.380  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        6.506  -1.780  -1.927  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        7.483  -2.875  -2.823  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        7.002  -1.207  -0.757  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        6.207  -0.318  -0.030  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  O   LIG    1       -1.493   0.417   0.864  0.00  0.00    -0.475 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.530   1.403   0.744  0.00  0.00    +0.200 C 
ATOM     18  C   LIG    1       -2.608   2.281   1.998  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -2.486   2.216  -0.556  0.00  0.00    +0.067 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.834   0.573   0.673  0.00  0.00    +0.351 C 
ATOM     21  O   LIG    1       -4.854   0.812   1.311  0.00  0.00    -0.246 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.718  -0.448  -0.231  0.00  0.00    -0.459 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -4.770  -1.936  -1.766  0.00  0.00    +0.052 C 
ATOM     24  C   LIG    1       -4.865  -1.302  -0.384  0.00  0.00    +0.170 C 
ATOM     25  C   LIG    1       -4.852  -2.372   0.702  0.00  0.00    +0.052 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7