REMARK  Name = BDB029720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.061   3.061  -0.414  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -3.613   1.957  -0.659  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.871   1.193   0.209  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.610   1.537   1.126  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.429  -0.041  -0.403  0.00  0.00    +0.129 C 
ATOM      6  C   LIG    1       -0.912  -0.192  -0.471  0.00  0.00    +0.143 C 
ATOM      7  N   LIG    1       -0.573  -0.929   0.747  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.683  -1.309   1.178  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        0.873  -2.081   2.112  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.763  -1.479   1.377  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1       -2.884  -1.274   0.365  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1       -3.060   0.101  -1.785  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -2.968  -0.691  -2.710  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.743   1.278  -1.824  0.00  0.00    -0.238 N 
ATOM     15  H   LIG    1       -4.233   1.634  -2.627  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1        1.860  -0.783   0.458  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        2.135   0.589   0.468  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        3.271   1.065  -0.215  0.00  0.00    +0.079 A 
ATOM     19  C   LIG    1        4.106   0.150  -0.864  0.00  0.00    +0.039 A 
ATOM     20  S   LIG    1        5.406   1.006  -1.605  0.00  0.00    -0.075 S 
ATOM     21  C   LIG    1        4.762   2.477  -1.013  0.00  0.00    +0.157 A 
ATOM     22  C   LIG    1        3.849  -1.232  -0.854  0.00  0.00    +0.018 A 
ATOM     23  N   LIG    1        3.655   2.392  -0.311  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        2.714  -1.686  -0.176  0.00  0.00    +0.014 A 
ENDBRANCH   8  16
TORSDOF 1