REMARK  Name = BDB059576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.535  -0.938   0.998  0.00  0.00    +0.103 A 
ATOM      2  C   LIG    1       -1.301  -0.770   1.675  0.00  0.00    +0.153 A 
ATOM      3  C   LIG    1       -0.627   0.474   1.616  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.173   1.518   0.852  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.376   1.345   0.176  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1       -3.057   0.134   0.253  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   5   7
ATOM      7  S   LIG    1       -3.680   2.030  -0.897  0.00  0.00    +0.312 S 
ATOM      8  F   LIG    1       -0.485  -0.762  -1.780  0.00  0.00    -0.093 F 
ATOM      9  F   LIG    1       -0.485  -0.762  -1.780  0.00  0.00    -0.093 F 
ATOM     10  F   LIG    1       -0.485  -0.763  -1.780  0.00  0.00    -0.093 F 
ATOM     11  F   LIG    1       -0.485  -0.763  -1.780  0.00  0.00    -0.093 F 
ATOM     12  F   LIG    1       -0.485  -0.763  -1.780  0.00  0.00    -0.093 F 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     13  O   LIG    1       -2.880  -3.192   1.724  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1       -3.287  -2.220   1.033  0.00  0.00    +0.340 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -4.463  -2.360   0.300  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -4.986  -3.228   0.315  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1       -0.747  -1.848   2.371  0.00  0.00    -0.504 OA
ATOM     18  H   LIG    1        0.178  -1.831   2.780  0.00  0.00    +0.292 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  N   LIG    1        0.580   0.692   2.364  0.00  0.00    -0.213 N 
ATOM     20  H   LIG    1        0.701   0.248   3.301  0.00  0.00    +0.174 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.918   1.589   1.726  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        3.153   1.277   2.525  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        1.637   3.061   1.835  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.197   1.121   0.047  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1        2.630  -0.182  -0.264  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        2.853  -0.539  -1.610  0.00  0.00    +0.085 A 
ATOM     27 CL   LIG    1        3.390  -2.152  -2.058  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        2.627   0.395  -2.626  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        2.178   1.680  -2.315  0.00  0.00    +0.021 A 
ATOM     30 BR   LIG    1        1.848   2.939  -3.712  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        1.965   2.043  -0.984  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     32  O   LIG    1        2.826  -1.101   0.770  0.00  0.00    -0.503 OA
ATOM     33  H   LIG    1        3.129  -2.053   0.609  0.00  0.00    +0.292 HD
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8