REMARK  Name = BDB022085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.226  -1.736   0.662  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.309  -0.694   0.802  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.925  -0.969   1.539  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.527   0.312   2.101  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        1.855   1.327   0.990  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        0.997   1.118  -0.270  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -0.385   0.574   0.071  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -1.022  -2.880   1.059  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.318   1.272   0.626  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        4.249   2.713   0.545  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        5.637   1.794   0.104  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.287   0.444   0.047  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        6.276  -0.499  -0.299  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        7.578  -0.071  -0.577  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        7.904   1.280  -0.514  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.941   2.235  -0.173  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.964   0.161   0.345  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  21
ATOM     18  C   LIG    1       -4.976  -0.994  -1.247  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1       -4.600  -0.225  -0.124  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -3.373  -0.467   0.502  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -2.523  -1.460   0.006  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -2.904  -2.244  -1.083  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -4.127  -2.005  -1.714  0.00  0.00    +0.050 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.631  -1.470  -2.906  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -6.191  -0.683  -1.808  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -5.493   0.739   0.275  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.237   1.408   1.501  0.00  0.00    +0.277 C 
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 4