REMARK  Name = BDB035936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.639  -2.689   0.958  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.297  -1.630   0.921  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.377  -2.118   1.638  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.576  -1.423   1.849  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        2.691  -0.122   1.315  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1        1.605   0.392   0.604  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.431   1.732  -0.018  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        0.202   1.448  -0.877  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.546   0.375  -0.266  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        1.077  -3.356   2.112  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        0.428  -0.337   0.418  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1       -0.206  -3.700   1.721  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        3.920   0.651   1.521  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        5.118   0.271   0.896  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        6.291   1.004   1.090  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.282   2.128   1.913  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.102   2.518   2.543  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.930   1.784   2.349  0.00  0.00    +0.008 A 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1       -1.907  -2.765   0.395  0.00  0.00    -0.196 N 
ATOM     20  H   LIG    1       -2.421  -3.601   0.668  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.158  -2.497  -1.252  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1       -0.857  -2.332  -1.869  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.047  -3.562  -1.677  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -3.916  -0.557  -0.325  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.086  -0.986  -1.373  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -2.960  -0.204  -2.537  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -3.655   1.009  -2.627  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.472   1.438  -1.583  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -4.614   0.651  -0.444  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -3.913  -0.689   2.006  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.139  -1.357   0.763  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1       -2.212  -0.704  -3.568  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -1.765   0.203  -4.566  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6