REMARK  Name = BDB050711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.632  -3.395   0.339  0.00  0.00    -0.132 OA
ATOM      2  S   LIG    1        0.939  -2.675  -0.714  0.00  0.00    +0.144 S 
ATOM      3  O   LIG    1        0.355  -3.403  -1.825  0.00  0.00    -0.132 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.281  -1.673   0.011  0.00  0.00    +0.178 C 
ATOM      5  C   LIG    1       -1.164  -1.031  -0.769  0.00  0.00    +0.030 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.207  -0.143  -0.244  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -1.968   0.745   0.814  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.979   1.598   1.265  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.233   1.578   0.658  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.476   0.711  -0.404  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.466  -0.142  -0.857  0.00  0.00    +0.008 A 
ENDBRANCH   5   6
ENDBRANCH   2   4
BRANCH   2  12
ATOM     12  O   LIG    1        1.938  -1.538  -1.342  0.00  0.00    -0.343 OA
BRANCH  12  13
ATOM     13  C   LIG    1        2.507  -0.586  -0.538  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        3.416  -0.912   0.468  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        3.981   0.101   1.245  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.647   1.433   0.999  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        4.342   2.679   1.960  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        2.760   1.762  -0.025  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        2.195   0.749  -0.802  0.00  0.00    +0.050 A 
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 4