REMARK  Name = BDB002046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.880  -1.265  -1.250  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.056  -0.544  -0.380  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.167  -1.242   0.442  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        0.084  -2.638   0.396  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.887  -3.345  -0.500  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.777  -2.659  -1.330  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.705  -0.815  -3.368  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.801  -0.564  -2.167  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        3.660   0.411  -1.735  0.00  0.00    -0.261 N 
ATOM     10  H   LIG    1        4.034   1.002  -2.466  0.00  0.00    +0.157 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.255   0.624  -0.520  0.00  0.00    +0.165 A 
ATOM     12  S   LIG    1        4.216  -0.508   0.754  0.00  0.00    -0.061 S 
ATOM     13  C   LIG    1        5.189   0.531   1.705  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        5.512   1.651   0.971  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1        4.995   1.688  -0.310  0.00  0.00    -0.233 NA
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  S   LIG    1       -0.851  -0.322   1.566  0.00  0.00    +0.061 S 
ATOM     17  O   LIG    1       -1.703  -1.250   2.280  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        0.025   0.589   2.271  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -1.847   0.586   0.515  0.00  0.00    -0.177 NA
ATOM     20  C   LIG    1       -2.543   1.734   1.171  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1       -4.049   1.518   1.240  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -4.659   1.354  -0.150  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -3.693   0.691  -1.130  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -2.703  -0.214  -0.407  0.00  0.00    +0.109 C 
ENDBRANCH  16  19
ENDBRANCH   3  16
TORSDOF 4