REMARK  Name = BDB056043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.037   0.970   0.723  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -5.297   0.370   0.171  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -4.574   1.215  -0.684  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -3.202   1.411  -0.505  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.522   0.773   0.539  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -3.239  -0.076   1.393  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.611  -0.271   1.212  0.00  0.00    +0.009 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -7.298  -1.019  -0.524  0.00  0.00    +0.134 A 
ATOM      9  C   LIG    1       -6.739   0.168  -0.020  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -7.635   1.196   0.319  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -9.018   1.034   0.166  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -9.539  -0.161  -0.332  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -8.679  -1.199  -0.681  0.00  0.00    +0.033 A 
BRANCH   8  15
ATOM     14  O   LIG    1       -6.332  -3.056  -0.121  0.00  0.00    -0.126 OA
ATOM     15  N   LIG    1       -6.439  -2.115  -0.919  0.00  0.00    +0.057 N 
ATOM     16  O   LIG    1       -5.916  -2.046  -2.039  0.00  0.00    -0.126 OA
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1       -0.084  -0.253  -0.221  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1        1.529   0.232   0.192  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1        2.637  -0.415  -0.286  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1        3.656   0.297   0.289  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1        3.217   1.284   1.044  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1        1.840   1.241   0.980  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1        5.019  -0.123  -0.007  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        6.098   0.576   0.557  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.412   0.187   0.294  0.00  0.00    +0.163 A 
ATOM     26  O   LIG    1        8.402   0.913   0.904  0.00  0.00    -0.485 OA
ATOM     27  C   LIG    1        9.661   0.232   0.846  0.00  0.00    +0.270 C 
ATOM     28  C   LIG    1        9.911  -0.314  -0.551  0.00  0.00    +0.270 C 
ATOM     29  O   LIG    1        8.932  -1.303  -0.890  0.00  0.00    -0.485 OA
ATOM     30  C   LIG    1        7.668  -0.888  -0.561  0.00  0.00    +0.162 A 
ATOM     31  C   LIG    1        6.610  -1.600  -1.117  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        5.292  -1.219  -0.843  0.00  0.00    +0.017 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6