REMARK  Name = BDB028554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.393  -0.631   0.859  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.479  -1.822   0.052  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1        0.432  -2.591   0.643  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.508  -0.678   1.920  0.00  0.00    +0.266 C 
BRANCH   4   5
ATOM      5  O   LIG    1        2.805  -0.738   1.300  0.00  0.00    -0.448 OA
BRANCH   5   7
ATOM      6  O   LIG    1        2.748   1.528   1.069  0.00  0.00    -0.226 OA
ATOM      7  C   LIG    1        3.309   0.456   0.883  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        4.521   0.313   0.231  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        5.146   1.483  -0.385  0.00  0.00    +0.122 C 
ATOM     10  C   LIG    1        5.506   1.251  -1.851  0.00  0.00    +0.088 C 
ATOM     11  S   LIG    1        6.758  -0.062  -2.089  0.00  0.00    -0.158 S 
ATOM     12  C   LIG    1        6.544  -0.977  -0.523  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1        5.095  -1.006  -0.041  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1       -0.994  -0.539   1.542  0.00  0.00    +0.119 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -2.096  -0.031   0.696  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -3.325   0.085   1.509  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -4.562   0.463   0.722  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1       -4.617   0.276  -0.668  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -5.786   0.601  -1.370  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -6.904   1.084  -0.691  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.860   1.253   0.691  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.398  -0.206  -1.407  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -5.696   0.942   1.395  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.357  -0.864  -0.487  0.00  0.00    +0.089 C 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6