REMARK  Name = BDB032593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.153  -1.394  -2.288  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.377  -2.323  -2.635  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.016  -1.255  -1.565  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.741  -2.339  -1.285  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.825  -1.887  -0.556  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.753  -0.532  -0.411  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -0.613  -0.091  -1.044  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -2.834   0.108   0.330  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.899   1.507   0.428  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -3.929   2.131   1.139  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.909   1.364   1.763  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.862  -0.024   1.677  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.832  -0.647   0.966  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        1.733   1.021  -2.805  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1        2.339  -0.244  -2.452  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        3.393  -0.829  -3.250  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.972  -0.106  -0.795  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1        3.659  -1.192  -0.240  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        4.165  -1.095   1.059  0.00  0.00    +0.061 A 
ATOM     20 CL   LIG    1        4.995  -2.469   1.698  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        3.991   0.085   1.794  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1        4.589   0.271   3.403  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.315   1.170   1.223  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        2.807   1.079  -0.075  0.00  0.00    +0.030 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4