REMARK  Name = BDB001997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.718  -0.054   0.053  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1       -2.562  -1.119   0.240  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1       -3.921  -1.338  -0.114  0.00  0.00    +0.280 A 
ATOM      4  N   LIG    1       -4.367  -2.586   0.256  0.00  0.00    -0.273 N 
ATOM      5  H   LIG    1       -5.327  -2.808   0.041  0.00  0.00    +0.173 HD
ATOM      6  C   LIG    1       -3.662  -3.563   0.936  0.00  0.00    +0.331 A 
ATOM      7  N   LIG    1       -2.341  -3.276   1.265  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1       -1.530  -4.242   1.981  0.00  0.00    +0.155 C 
ATOM      9  O   LIG    1       -4.229  -4.619   1.215  0.00  0.00    -0.246 OA
ATOM     10  O   LIG    1       -4.644  -0.520  -0.673  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1       -1.820  -2.051   0.906  0.00  0.00    +0.169 A 
ATOM     12  N   LIG    1       -0.560  -1.611   1.159  0.00  0.00    -0.204 NA
ATOM     13  C   LIG    1       -0.522  -0.400   0.641  0.00  0.00    +0.172 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.054   1.171  -0.643  0.00  0.00    +0.152 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.719   2.196   0.271  0.00  0.00    +0.181 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -3.086   3.374  -0.451  0.00  0.00    -0.378 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -4.644   4.556  -1.818  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -4.356   3.256  -1.093  0.00  0.00    +0.156 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH  13  19
ATOM     19  S   LIG    1        0.841   0.667   0.698  0.00  0.00    -0.088 S 
BRANCH  19  20
ATOM     20  C   LIG    1        2.111  -0.388   1.469  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.703  -1.448   0.534  0.00  0.00    +0.016 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.429  -0.907  -0.704  0.00  0.00    +0.036 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.646  -0.076  -0.379  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1        4.620   1.316  -0.537  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.742   2.085  -0.224  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.900   1.470   0.249  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.938   0.087   0.408  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.816  -0.683   0.096  0.00  0.00    +0.003 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 9