REMARK  Name = BDB037109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.167  -1.110   1.945  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1        0.259  -0.636   2.734  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.364  -0.978   0.656  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -0.280  -1.163  -0.365  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.794  -0.566   0.598  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.260   0.046  -0.573  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.592   0.485  -0.688  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        4.029   1.115  -1.984  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        4.482   0.279   0.389  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1        4.005  -0.345   1.558  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.676  -0.763   1.664  0.00  0.00    +0.013 A 
BRANCH   9  12
ATOM     12  C   LIG    1        5.939   0.693   0.333  0.00  0.00    +0.178 C 
BRANCH  12  13
ATOM     13  N   LIG    1        6.729  -0.151  -0.554  0.00  0.00    -0.267 N 
ATOM     14  N   LIG    1        7.403   0.404  -1.585  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        8.033  -0.631  -2.146  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1        7.789  -1.839  -1.469  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        6.953  -1.495  -0.433  0.00  0.00    +0.108 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -1.757  -1.489   2.266  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -2.018  -2.808   1.728  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.954  -1.230   3.679  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -2.503   1.076   1.584  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -2.696  -0.289   1.361  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.647  -0.744   0.432  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -4.436   0.155  -0.308  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -4.227   1.523  -0.077  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.276   1.977   0.849  0.00  0.00    +0.048 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -5.462  -0.374  -1.325  0.00  0.00    -0.013 C 
ATOM     28  C   LIG    1       -6.492  -1.272  -0.606  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -4.738  -1.200  -2.410  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -6.253   0.739  -2.050  0.00  0.00    +0.015 C 
ENDBRANCH  24  27
BRANCH  21  32
ATOM     31  C   LIG    1       -1.646   2.765   3.020  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -1.535   1.454   2.475  0.00  0.00    -0.493 OA
ENDBRANCH  21  32
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7