REMARK  Name = BDB057385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.946  -1.355   0.074  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -3.124  -0.230  -0.009  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.898  -0.312  -0.677  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.504  -1.509  -1.279  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.346  -2.624  -1.203  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.571  -2.553  -0.536  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -5.517  -1.256   0.899  0.00  0.00    +0.007 S 
ATOM      8  O   LIG    1       -5.812   0.139   1.169  0.00  0.00    -0.169 OA
ATOM      9  O   LIG    1       -6.441  -2.038   0.095  0.00  0.00    -0.169 OA
BRANCH   7  10
ATOM     10  C   LIG    1       -5.323  -2.106   2.426  0.00  0.00    +0.291 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -3.468  -0.639   3.039  0.00  0.00    -0.249 OA
ATOM     12  C   LIG    1       -4.336  -1.444   3.318  0.00  0.00    +0.326 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -4.440  -1.898   4.588  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1       -3.745  -1.411   5.083  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  O   LIG    1       -0.338  -1.731  -1.956  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        0.524  -0.625  -2.224  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.521  -0.432  -1.088  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.489   0.707  -1.382  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.376   0.824  -0.270  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.331   1.801  -0.330  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        5.163   1.870   0.790  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        6.177   2.825   0.853  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        7.196   2.901   2.238  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        6.371   3.717  -0.198  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.543   3.652  -1.318  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.525   2.696  -1.385  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 10