REMARK  Name = BDB046337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.194   0.341  -3.908  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        4.892   0.044  -2.759  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        5.145   0.952  -1.616  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        4.768   0.551  -0.321  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1        5.039   1.435   0.737  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        5.656   2.672   0.506  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        6.015   3.050  -0.785  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.116  -0.772  -0.122  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.680  -1.167   1.271  0.00  0.00    +0.146 C 
ATOM     10  N   LIG    1        2.938  -2.438   1.300  0.00  0.00    -0.176 NA
ATOM     11  C   LIG    1        3.363  -3.467   0.339  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1        3.316  -2.932  -1.089  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1        3.927  -1.562  -1.198  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        5.761   2.190  -1.849  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.300  -1.159  -2.457  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        4.148  -1.767  -3.254  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  17
ATOM     17  S   LIG    1        1.417  -2.488   2.004  0.00  0.00    +0.033 S 
ATOM     18  O   LIG    1        1.415  -1.548   3.106  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        1.069  -3.877   2.211  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1        0.375  -1.834   0.708  0.00  0.00    +0.200 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.053  -1.669   1.220  0.00  0.00    +0.108 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.012  -1.297   0.156  0.00  0.00    -0.301 NA
ATOM     23  C   LIG    1       -1.761   0.058  -0.368  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -2.760   0.423  -1.469  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.217   0.355  -0.974  0.00  0.00    +0.059 C 
ATOM     26  C   LIG    1       -4.422  -1.056  -0.391  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -3.388  -1.388   0.685  0.00  0.00    +0.086 C 
BRANCH  25  28
ATOM     28  N   LIG    1       -4.526   1.435  -0.010  0.00  0.00    -0.299 NA
ATOM     29  C   LIG    1       -4.394   2.779  -0.592  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1       -5.295   3.683   0.243  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -6.050   2.746   1.169  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -5.890   1.380   0.526  0.00  0.00    +0.085 C 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  10  17
TORSDOF 5