REMARK  Name = BDB059563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.853   0.407  -1.868  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.570   1.739  -2.359  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.821  -0.439  -2.534  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.579  -0.603   0.592  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.349   0.545  -0.172  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -1.530   1.817   0.383  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -1.925   1.929   1.713  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -2.146   3.486   2.410  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.135   0.789   2.490  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.954  -0.478   1.932  0.00  0.00    +0.049 A 
BRANCH   4  12
ATOM     11  C   LIG    1       -2.523  -2.623  -0.022  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.324  -1.843   0.066  0.00  0.00    -0.493 OA
ENDBRANCH   4  12
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  N   LIG    1        0.589  -0.457  -1.800  0.00  0.00    -0.213 N 
ATOM     14  H   LIG    1        0.480  -1.456  -1.966  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.669  -0.006  -0.987  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        2.135  -0.814   0.059  0.00  0.00    +0.139 A 
ATOM     17  C   LIG    1        3.216  -0.418   0.840  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.830   0.810   0.593  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.360   1.623  -0.439  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        4.124   3.135  -0.741  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        2.285   1.221  -1.232  0.00  0.00    +0.048 A 
BRANCH  16  22
ATOM     22  O   LIG    1        1.553  -2.012   0.368  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        0.619  -1.979   0.087  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5