REMARK  Name = BDB028775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.438   1.136   0.358  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.361   0.555   0.251  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.179  -0.697   0.780  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.991  -1.111   1.217  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.079  -1.514   0.665  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -2.117  -2.673   1.077  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.834  -0.909   0.033  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -1.238   0.134  -1.008  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.170   1.188  -0.427  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.208  -0.224   1.385  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.750  -0.002   0.518  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        2.271   1.281   0.366  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.470   1.424  -0.310  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        4.168   0.390  -0.824  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.654  -0.844  -0.641  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        2.461  -1.090   0.018  0.00  0.00    +0.034 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2