REMARK  Name = BDB050712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.661   1.627  -1.589  0.00  0.00    -0.132 OA
ATOM      2  S   LIG    1       -0.876   0.407  -1.608  0.00  0.00    +0.144 S 
ATOM      3  O   LIG    1       -0.628  -0.291  -2.854  0.00  0.00    -0.132 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.633   0.723  -0.813  0.00  0.00    +0.178 C 
ATOM      5  C   LIG    1        1.606  -0.201  -0.840  0.00  0.00    +0.030 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.903  -0.034  -0.172  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        3.569   1.198  -0.122  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        4.815   1.307   0.502  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.412   0.185   1.072  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        4.767  -1.048   1.015  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.522  -1.158   0.390  0.00  0.00    +0.008 A 
ENDBRANCH   5   6
ENDBRANCH   2   4
BRANCH   2  12
ATOM     12  O   LIG    1       -1.505  -0.663  -0.538  0.00  0.00    -0.340 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -2.807  -0.484  -0.142  0.00  0.00    +0.193 A 
ATOM     14  C   LIG    1       -3.858  -1.049  -0.872  0.00  0.00    +0.088 A 
ATOM     15 CL   LIG    1       -3.567  -2.005  -2.277  0.00  0.00    -0.080 Cl
ATOM     16  C   LIG    1       -5.178  -0.864  -0.460  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -5.442  -0.122   0.690  0.00  0.00    +0.044 A 
ATOM     18 CL   LIG    1       -7.069   0.104   1.201  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -4.403   0.428   1.437  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1       -3.085   0.241   1.022  0.00  0.00    +0.088 A 
ATOM     21 CL   LIG    1       -1.816   0.914   1.981  0.00  0.00    -0.080 Cl
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 4