REMARK  Name = BDB033691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.295   0.531  -1.715  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -0.871   0.501  -3.022  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1        0.488   0.408  -3.184  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        1.359   0.345  -2.156  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.857   0.370  -0.913  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -0.457   0.464  -0.660  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.750   0.560  -4.139  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -2.433   0.609  -5.076  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        1.669   0.309   0.215  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        1.086   0.327   1.040  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.042   0.132   0.418  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.533   0.174   1.736  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.896   0.027   2.013  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.792  -0.153   0.961  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        5.334  -0.206  -0.354  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.967  -0.055  -0.617  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        7.519  -0.345   1.306  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        8.151  -0.961   0.163  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        7.664  -0.860   2.647  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        8.040   1.256   1.306  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        7.275   1.929   1.269  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        8.699   1.387   0.536  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  23
ATOM     23  O   LIG    1       -2.655   0.600  -1.493  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.090   0.743  -0.137  0.00  0.00    +0.237 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.785  -1.715   0.403  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -3.779  -0.550   0.369  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.016  -0.912  -0.471  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -6.122   0.007   0.040  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -5.744   0.368   1.476  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -4.409  -0.321   1.753  0.00  0.00    +0.010 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8