REMARK  Name = BDB033570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174   0.462   2.791  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.738   0.808   1.760  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.844   1.256   2.455  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.029   1.679   1.864  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.100   1.638   0.455  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.980   1.202  -0.301  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        2.039   1.154  -1.812  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        0.851   0.419  -2.411  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -0.402   0.868  -1.694  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1       -0.364   0.477  -0.323  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        1.587   1.236   3.789  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        0.777   0.828   0.353  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        0.298   0.776   4.002  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.456  -0.068   2.679  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.946  -0.066   3.573  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -1.663  -1.615   2.009  0.00  0.00    +0.082 S 
ATOM     17  O   LIG    1       -2.400  -2.376   3.001  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.373  -2.081   1.547  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.891  -0.524   0.809  0.00  0.00    +0.154 A 
ATOM     20  C   LIG    1       -2.764  -1.345   0.662  0.00  0.00    +0.211 A 
ATOM     21  C   LIG    1       -2.543  -1.956  -0.561  0.00  0.00    +0.246 A 
ATOM     22  N   LIG    1       -3.343  -1.751  -1.640  0.00  0.00    -0.216 NA
ATOM     23  C   LIG    1       -4.406  -0.934  -1.500  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -5.271  -0.720  -2.706  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -4.714  -0.311  -0.298  0.00  0.00    +0.071 A 
BRANCH  19  27
ATOM     26  C   LIG    1       -5.329   0.763   2.233  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -4.133   0.016   2.044  0.00  0.00    -0.493 OA
ENDBRANCH  19  27
BRANCH  21  28
ATOM     28  O   LIG    1       -1.510  -2.849  -0.707  0.00  0.00    -0.478 OA
ATOM     29  C   LIG    1       -1.335  -3.342  -2.029  0.00  0.00    +0.279 C 
ENDBRANCH  21  28
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  30
ATOM     30  C   LIG    1        4.399   2.090  -0.186  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.497   1.175   0.107  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        6.500   1.567   0.921  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        7.313   0.509   0.952  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        6.848  -0.549   0.150  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        5.674  -0.085  -0.393  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7