REMARK  Name = BDB002488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.264   0.467  -0.490  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -0.746  -0.163   0.112  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.768   0.541  -1.778  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -1.264   1.160  -2.717  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.399   1.090   3.361  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.950   1.363   1.950  0.00  0.00    -0.046 A 
ATOM      7  C   LIG    1       -2.787   0.770   1.395  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -1.944  -0.177   2.218  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -2.425   1.065   0.053  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -3.216   1.946  -0.692  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.355   2.529  -0.139  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.719   2.239   1.170  0.00  0.00    +0.004 A 
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        0.565  -0.177  -1.978  0.00  0.00    +0.165 C 
BRANCH  13  14
ATOM     14  S   LIG    1        0.795  -1.599  -0.851  0.00  0.00    -0.147 S 
BRANCH  14  15
ATOM     15  C   LIG    1        2.298  -2.317  -1.588  0.00  0.00    +0.110 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.486  -1.445  -1.421  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        4.175  -0.747  -2.393  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1        4.027  -0.593  -3.853  0.00  0.00    +0.089 C 
ATOM     19  O   LIG    1        5.214  -0.082  -1.826  0.00  0.00    -0.359 OA
ATOM     20  N   LIG    1        5.235  -0.327  -0.469  0.00  0.00    -0.083 NA
ATOM     21  C   LIG    1        4.208  -1.149  -0.229  0.00  0.00    +0.085 A 
ATOM     22  C   LIG    1        3.949  -1.620   1.152  0.00  0.00    +0.069 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 5