REMARK  Name = BDB035942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.998   1.127   0.894  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.376   0.845   0.731  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.700   1.407  -0.489  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        1.977   1.371  -1.059  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        3.009   0.726  -0.340  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.691   0.136   0.886  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        3.550  -0.583   1.864  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.471  -1.229   2.733  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.261  -0.446   2.635  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.412   1.983  -1.019  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.398   0.193   1.412  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1       -1.480   1.804  -0.153  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        4.360   0.699  -0.892  0.00  0.00    +0.136 A 
ATOM     14  O   LIG    1        4.441   0.736  -2.257  0.00  0.00    -0.460 OA
ATOM     15  C   LIG    1        5.760   0.701  -2.592  0.00  0.00    +0.103 A 
ATOM     16  C   LIG    1        6.067   0.733  -4.035  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        6.535   0.646  -1.456  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        5.635   0.646  -0.362  0.00  0.00    +0.050 A 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1       -1.740   0.729   1.997  0.00  0.00    -0.196 N 
ATOM     20  H   LIG    1       -1.310   0.086   2.659  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.410   0.752   2.066  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1       -3.819   2.138   1.967  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.771  -0.032   3.233  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -4.908   0.312  -0.224  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.932  -0.174   0.650  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -3.361  -1.432   0.406  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -3.714  -2.162  -0.735  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.682  -1.669  -1.605  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.292  -0.444  -1.339  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -5.204   2.515  -0.847  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.602   1.462   0.034  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1       -2.403  -1.949   1.242  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -2.922  -3.053   1.989  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6