REMARK  Name = BDB045376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.551  -0.215   0.449  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.299  -1.332  -0.004  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        1.048  -1.826  -1.309  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.787  -2.935  -1.775  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.758  -3.549  -0.987  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.013  -3.068   0.288  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.067  -1.198  -2.111  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -0.661  -0.093  -1.650  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        2.293  -1.976   0.774  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.407   0.393  -0.369  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.778   0.354   1.740  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1        1.009  -0.267   2.513  0.00  0.00    +0.174 HD
BRANCH  11  14
ATOM     13  O   LIG    1        1.850   2.030   3.266  0.00  0.00    -0.150 OA
ATOM     14  S   LIG    1        1.534   1.860   1.863  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        0.749   2.845   1.149  0.00  0.00    -0.150 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.063   1.629   0.988  0.00  0.00    +0.108 A 
ATOM     17  C   LIG    1        3.137   1.937  -0.374  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        4.340   1.752  -1.054  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.463   1.280  -0.372  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.391   0.998   0.993  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.191   1.177   1.681  0.00  0.00    +0.029 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  O   LIG    1       -0.151  -1.704  -3.372  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1       -0.979  -1.327  -3.725  0.00  0.00    +0.292 HD
ENDBRANCH   7  22
BRANCH   8  24
ATOM     24  S   LIG    1       -1.863   0.764  -2.659  0.00  0.00    -0.044 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.140  -0.395  -2.540  0.00  0.00    +0.219 A 
ATOM     26  N   LIG    1       -4.105  -0.509  -1.548  0.00  0.00    -0.187 N 
ATOM     27  N   LIG    1       -4.751  -1.688  -1.776  0.00  0.00    -0.038 NA
ATOM     28  N   LIG    1       -4.244  -2.195  -2.889  0.00  0.00    -0.022 NA
ATOM     29  N   LIG    1       -3.241  -1.408  -3.374  0.00  0.00    -0.101 NA
BRANCH  26  30
ATOM     30  C   LIG    1       -4.483   0.308  -0.446  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -5.327  -0.238   0.539  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -5.714   0.519   1.648  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.274   1.832   1.783  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.458   2.391   0.804  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -4.068   1.638  -0.310  0.00  0.00    +0.028 A 
ENDBRANCH  26  30
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 7