REMARK  Name = BDB053359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.042  -1.414   0.085  0.00  0.00    -0.272 N 
ATOM      2  C   LIG    1        1.789  -0.794   1.073  0.00  0.00    +0.267 A 
ATOM      3  O   LIG    1        1.561  -0.770   2.272  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        2.957  -0.125   0.485  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        3.010  -0.259  -0.891  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.979   0.259  -1.669  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        4.937   0.953  -1.008  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.962   1.140   0.376  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.942   0.586   1.148  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1        1.641  -1.208  -1.512  0.00  0.00    +0.012 S 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.233  -2.054   0.334  0.00  0.00    +0.168 C 
BRANCH  11  16
ATOM     12  C   LIG    1       -4.702   1.639  -0.278  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.538   0.704  -0.130  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -2.817   0.655   1.068  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -1.752  -0.236   1.217  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -1.397  -1.105   0.176  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -2.126  -1.058  -1.020  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.191  -0.167  -1.168  0.00  0.00    +0.004 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
TORSDOF 2