REMARK  Name = BDB053352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.568   0.093  -0.157  0.00  0.00    -0.244 N 
ATOM      2  C   LIG    1       -1.406  -0.492   0.805  0.00  0.00    +0.272 A 
ATOM      3  O   LIG    1       -1.130  -1.046   1.860  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -2.817  -0.381   0.412  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -2.992   0.262  -0.793  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -4.187   0.489  -1.370  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -5.259   0.034  -0.679  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -5.178  -0.627   0.547  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.922  -0.842   1.111  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1       -1.449   0.759  -1.498  0.00  0.00    +0.017 S 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.206   0.364   0.090  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.708   0.319   0.038  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        2.979  -0.303   1.051  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.579  -0.373   0.986  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        0.862   0.164  -0.093  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1        1.618   0.773  -1.112  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        3.017   0.846  -1.052  0.00  0.00    +0.005 A 
ENDBRANCH   1  15
TORSDOF 1