REMARK  Name = BDB017745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.339   2.220   0.769  0.00  0.00    -0.276 N 
ATOM      2  C   LIG    1        1.039   1.747   0.952  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        0.305   2.860   1.360  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1       -1.068   2.734   1.631  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.679   1.484   1.485  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -0.929   0.381   1.073  0.00  0.00    +0.107 A 
ATOM      7  N   LIG    1        1.093   3.972   1.442  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        0.447   0.479   0.807  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        2.291   3.563   1.093  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.985   0.480  -0.702  0.00  0.00    +0.075 C 
ATOM     11  C   LIG    1        5.559   0.675  -0.340  0.00  0.00    +0.101 A 
ATOM     12  S   LIG    1        4.981   2.208   0.184  0.00  0.00    -0.033 S 
ATOM     13  C   LIG    1        3.445   1.484   0.338  0.00  0.00    +0.202 A 
ATOM     14  N   LIG    1        3.397   0.211   0.017  0.00  0.00    -0.123 NA
ATOM     15  N   LIG    1        4.633  -0.261  -0.381  0.00  0.00    -0.145 NA
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  S   LIG    1       -1.727  -1.204   0.925  0.00  0.00    +0.059 S 
ATOM     17  O   LIG    1       -0.725  -2.234   1.090  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1       -2.927  -1.175   1.733  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -2.132  -1.195  -0.726  0.00  0.00    -0.184 NA
ATOM     20  H   LIG    1       -1.410  -1.716  -1.230  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.492  -1.681  -1.067  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.150  -1.079  -2.289  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.673  -0.753  -0.922  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.703  -3.157  -0.833  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   6  16
TORSDOF 4