REMARK  Name = BDB047333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.081   0.095   0.879  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1        1.781  -0.343   0.248  0.00  0.00    +0.085 C 
ATOM      3  N   LIG    1        0.884   0.637  -0.092  0.00  0.00    -0.331 N 
ATOM      4  H   LIG    1        1.258   1.578  -0.189  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -0.232   0.295  -0.957  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -0.749  -1.086  -0.577  0.00  0.00    +0.107 C 
ATOM      7  C   LIG    1       -1.467  -1.169   0.764  0.00  0.00    +0.083 C 
ATOM      8  S   LIG    1       -2.893  -0.043   0.830  0.00  0.00    -0.160 S 
ATOM      9  C   LIG    1       -2.029   1.498   0.426  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        0.434  -2.029  -0.542  0.00  0.00    +0.243 C 
ATOM     11  O   LIG    1        0.313  -3.166  -0.995  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -1.298   1.391  -0.906  0.00  0.00    +0.033 C 
ATOM     13  N   LIG    1        1.599  -1.607   0.055  0.00  0.00    -0.170 NA
ENDROOT
TORSDOF 0