REMARK  Name = BDB028566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024  -0.710  -0.623  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.560  -1.495   0.455  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -0.135  -1.469   1.145  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.719  -1.100  -1.934  0.00  0.00    +0.266 C 
BRANCH   4   5
ATOM      5  O   LIG    1        2.106  -0.712  -1.924  0.00  0.00    -0.448 OA
BRANCH   5   7
ATOM      6  O   LIG    1        1.477   1.424  -2.406  0.00  0.00    -0.226 OA
ATOM      7  C   LIG    1        2.352   0.602  -2.159  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        3.698   0.912  -2.088  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        4.726  -0.056  -1.689  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        5.748   0.564  -0.754  0.00  0.00    +0.109 C 
ATOM     11  S   LIG    1        6.739   1.869  -1.542  0.00  0.00    -0.040 S 
ATOM     12  O   LIG    1        8.014   1.141  -2.312  0.00  0.00    -0.162 OA
ATOM     13  C   LIG    1        5.555   2.377  -2.828  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.117   2.286  -2.354  0.00  0.00    +0.123 C 
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.496  -0.966  -0.708  0.00  0.00    +0.119 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.148  -0.790   0.610  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1       -3.485  -1.425   0.591  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1       -4.297  -1.174   1.843  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -4.009  -0.085   2.684  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -4.795   0.145   3.821  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.878  -0.684   4.108  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.180  -1.752   3.267  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.818   0.791   2.396  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -5.396  -1.995   2.138  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -2.303   0.636   0.958  0.00  0.00    +0.089 C 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6