REMARK  Name = BDB053332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.189  -0.876  -0.053  0.00  0.00    +0.157 A 
ATOM      2  C   LIG    1        0.013  -0.821  -0.802  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.188  -1.292  -0.259  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.217  -1.833   1.030  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.042  -1.881   1.779  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.156  -1.412   1.237  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.420  -0.444  -0.471  0.00  0.00    -0.342 OA
BRANCH   7   8
ATOM      8  S   LIG    1        2.636   0.392  -1.854  0.00  0.00    +0.151 S 
ATOM      9  O   LIG    1        1.908   1.645  -1.776  0.00  0.00    -0.131 OA
ATOM     10  O   LIG    1        2.443  -0.510  -2.975  0.00  0.00    -0.131 OA
BRANCH   8  15
ATOM     11  C   LIG    1        8.531   1.824  -1.580  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        7.070   1.489  -1.669  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        6.163   2.028  -0.746  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.809   1.696  -0.810  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.365   0.808  -1.793  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        5.257   0.256  -2.715  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        6.609   0.594  -2.645  0.00  0.00    +0.005 A 
ENDBRANCH   8  15
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  N   LIG    1       -2.445  -2.260   1.643  0.00  0.00    -0.192 N 
BRANCH  18  19
ATOM     19  S   LIG    1       -3.188  -1.141   2.708  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -4.389  -1.746   3.250  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.187  -0.586   3.597  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.717   0.172   1.623  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -2.857   1.244   1.367  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -3.273   2.274   0.523  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.548   2.244  -0.058  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -5.005   3.372  -0.937  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -5.417   1.186   0.243  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.006   0.150   1.084  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH  18  19
BRANCH  18  29
ATOM     29  C   LIG    1       -3.357  -3.094   0.821  0.00  0.00    +0.251 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.221  -4.039   1.621  0.00  0.00    +0.324 C 
ATOM     31  O   LIG    1       -5.376  -4.335   1.354  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -3.585  -4.623   2.657  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -4.286  -5.128   3.119  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  18  29
ENDBRANCH   4  18
TORSDOF 9