REMARK  Name = BDB064083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.143  -1.797   0.940  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.069  -0.621   0.630  0.00  0.00    +0.267 C 
ATOM      3  N   LIG    1        3.069   0.330   0.487  0.00  0.00    -0.245 N 
ATOM      4  C   LIG    1        2.515   1.577   0.198  0.00  0.00    +0.144 C 
ATOM      5  S   LIG    1        3.266   3.045   0.006  0.00  0.00    -0.018 S 
ATOM      6  N   LIG    1        1.143   1.414   0.093  0.00  0.00    -0.292 N 
ATOM      7  H   LIG    1        0.455   2.134  -0.111  0.00  0.00    +0.154 HD
ATOM      8  C   LIG    1        0.803   0.117   0.342  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1       -0.423  -0.413   0.346  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -1.644   0.290   0.079  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -2.943  -0.305   0.083  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.815   0.734  -0.222  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -5.201   0.570  -0.318  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -5.708  -0.713  -0.091  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.862  -1.778   0.216  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.020   1.834  -0.382  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1       -3.315   2.776  -0.611  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1       -3.477  -1.590   0.308  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -1.708   1.602  -0.207  0.00  0.00    -0.173 NA
ENDBRANCH   9  10
BRANCH   3  20
ATOM     20  C   LIG    1        4.454   0.064   0.740  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1        5.147  -1.169   0.214  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        5.492   0.173  -0.351  0.00  0.00    +0.025 C 
ENDBRANCH   3  20
TORSDOF 2