REMARK  Name = BDB037283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.922   0.037  -0.767  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.426  -0.150  -0.369  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.623   0.816   0.594  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        1.822   1.016   1.267  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.900   0.163   0.939  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.729  -0.864  -0.029  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.861  -1.804  -0.376  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        3.401  -2.979  -1.226  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        2.441  -2.474  -2.281  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        1.259  -1.950  -1.673  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -0.525   1.522   0.766  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.492  -1.001  -0.708  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -1.501   1.027  -0.083  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.551  -0.744  -1.724  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.038  -1.514  -2.148  0.00  0.00    +0.175 HD
BRANCH  14  17
ATOM     16  O   LIG    1       -3.169   0.862  -2.834  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -3.082  -0.488  -2.325  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -3.325  -1.611  -3.215  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -4.124  -0.732  -0.923  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -4.831   0.295  -0.332  0.00  0.00    +0.150 A 
ATOM     21  O   LIG    1       -4.859   1.606  -0.725  0.00  0.00    -0.489 OA
ATOM     22  C   LIG    1       -5.452   2.300   0.392  0.00  0.00    +0.234 C 
ATOM     23  C   LIG    1       -6.317   1.313   1.171  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.642   0.056   0.773  0.00  0.00    -0.001 A 
ATOM     25  C   LIG    1       -5.784  -1.214   1.309  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -5.080  -2.263   0.716  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.257  -2.028  -0.396  0.00  0.00    +0.032 A 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   5  28
ATOM     28  C   LIG    1        4.215   0.404   1.660  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.813   1.678   1.275  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        4.760   2.730   2.119  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.401   3.697   1.458  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.878   3.267   0.207  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.490   1.951   0.119  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 5