REMARK  Name = BDB052665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.002   0.697  -0.555  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -0.836  -0.255  -1.150  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -2.031  -0.646  -0.557  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -2.414  -0.063   0.677  0.00  0.00    +0.089 A 
ATOM      5  N   LIG    1       -3.565  -0.407   1.289  0.00  0.00    -0.252 NA
ATOM      6  C   LIG    1       -4.322  -1.335   0.665  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -3.949  -1.903  -0.536  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -1.585   0.886   1.259  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1       -2.803  -1.568  -1.167  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1       -0.387   1.274   0.654  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  15
ATOM     11  O   LIG    1        6.192   0.564  -0.631  0.00  0.00    -0.262 OA
ATOM     12  C   LIG    1        4.976   0.549  -0.541  0.00  0.00    +0.283 C 
ATOM     13  S   LIG    1        3.893   1.311  -1.684  0.00  0.00    -0.026 S 
ATOM     14  C   LIG    1        2.481   0.806  -0.813  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1        1.238   1.092  -1.226  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1        2.897   0.030   0.390  0.00  0.00    +0.258 C 
ATOM     17  O   LIG    1        2.160  -0.472   1.222  0.00  0.00    -0.269 OA
ATOM     18  N   LIG    1        4.258  -0.048   0.441  0.00  0.00    -0.243 N 
ATOM     19  H   LIG    1        4.719  -0.540   1.188  0.00  0.00    +0.159 HD
ENDBRANCH   1  15
TORSDOF 1