REMARK  Name = BDB049407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.038  -1.663   0.206  0.00  0.00    -0.079 S 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        5.673   0.623   1.035  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        4.485   0.819   0.320  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        3.416  -0.067   0.533  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1        3.562  -1.110   1.444  0.00  0.00    +0.067 A 
ATOM      6  N   LIG    1        2.356  -1.763   1.403  0.00  0.00    -0.333 N 
ATOM      7  H   LIG    1        2.091  -2.579   1.932  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        1.565  -1.112   0.503  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1        4.729  -1.333   2.172  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        2.165  -0.083  -0.040  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        5.782  -0.437   1.944  0.00  0.00    +0.048 A 
BRANCH   2  13
ATOM     12  C   LIG    1        6.753   2.482   0.015  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        6.798   1.399   0.937  0.00  0.00    -0.495 OA
ENDBRANCH   2  13
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1       -0.419  -0.715  -1.298  0.00  0.00    +0.173 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.867  -0.952  -1.695  0.00  0.00    +0.227 C 
ATOM     16  N   LIG    1       -2.760  -0.305  -0.853  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.346   0.154  -0.052  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -2.146  -1.639  -2.674  0.00  0.00    -0.275 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -4.172  -0.271  -0.932  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -4.893   0.403   0.079  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -4.215   1.079   1.241  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1       -6.298   0.449   0.012  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.984  -0.158  -1.037  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.275  -0.818  -2.032  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.879  -0.873  -1.980  0.00  0.00    +0.023 A 
ENDBRANCH  16  19
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5