REMARK  Name = BDB036899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.256  -1.875  -0.950  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1        0.937  -2.223  -2.176  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -0.566  -2.842  -0.249  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.457  -1.261   0.197  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        2.231  -0.149  -0.147  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1        3.180   0.281   0.811  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.985   1.389   0.512  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        3.847   2.044  -0.703  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.899   1.570  -1.581  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1        3.322  -0.384   2.042  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.533  -1.486   2.350  0.00  0.00    +0.003 A 
ATOM     12  N   LIG    1        2.101   0.511  -1.322  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1        1.597  -1.929   1.426  0.00  0.00    +0.031 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1       -0.713  -0.536  -1.256  0.00  0.00    -0.178 NA
ATOM     15  H   LIG    1       -0.780  -0.367  -2.261  0.00  0.00    +0.149 HD
BRANCH  14  22
ATOM     16  O   LIG    1       -5.746   1.082  -0.002  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.608   0.623  -0.037  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -4.352  -0.595  -0.612  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -5.147  -0.996  -1.093  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -3.134  -0.967  -1.131  0.00  0.00    +0.238 C 
ATOM     21  O   LIG    1       -3.071  -1.705  -2.112  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1       -1.918  -0.351  -0.445  0.00  0.00    +0.163 C 
ATOM     23  C   LIG    1       -2.170   1.143  -0.271  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -3.425   1.348   0.565  0.00  0.00    +0.098 C 
ENDBRANCH  14  22
ENDBRANCH   1  14
TORSDOF 3