REMARK  Name = BDB007287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.314  -2.619  -0.487  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.582  -1.641  -0.373  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        3.090  -0.277  -0.275  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.219   0.790  -0.147  0.00  0.00    +0.034 A 
ATOM      5  S   LIG    1        3.037   2.280  -0.051  0.00  0.00    -0.096 S 
ATOM      6  C   LIG    1        4.566   1.520  -0.179  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.767   0.618  -0.103  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.296  -0.708  -0.199  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -1.073  -0.985  -0.168  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -2.000   0.060  -0.040  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -1.528   1.379   0.055  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.157   1.658   0.024  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.453   0.152  -0.293  0.00  0.00    +0.021 A 
ATOM     14  N   LIG    1        1.207  -1.778  -0.329  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1        0.869  -2.728  -0.398  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -3.429  -0.225  -0.007  0.00  0.00    +0.204 A 
ATOM     17  N   LIG    1       -4.395   0.704   0.113  0.00  0.00    -0.133 NA
ATOM     18  N   LIG    1       -5.483  -0.081   0.089  0.00  0.00    -0.176 N 
ATOM     19  H   LIG    1       -6.424   0.294   0.160  0.00  0.00    +0.214 HD
ATOM     20  N   LIG    1       -5.258  -1.393  -0.034  0.00  0.00    -0.049 NA
ATOM     21  N   LIG    1       -3.939  -1.501  -0.097  0.00  0.00    -0.108 NA
ENDBRANCH  10  16
TORSDOF 1