REMARK  Name = BDB028516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.640   0.424  -2.249  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.465   0.925  -1.144  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.371   0.801  -0.102  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.542  -0.067  -0.303  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -3.925  -0.874   0.954  0.00  0.00    +0.094 C 
ATOM      6  S   LIG    1       -4.359   0.189   2.399  0.00  0.00    -0.150 S 
ATOM      7  C   LIG    1       -3.664   1.772   1.831  0.00  0.00    +0.089 C 
ATOM      8  C   LIG    1       -2.321   1.606   1.124  0.00  0.00    +0.120 C 
ATOM      9  N   LIG    1       -0.345   1.659  -0.836  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.034   1.504   0.110  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.039  -1.871   0.682  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -4.829  -3.238   0.931  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.835  -4.172   0.679  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.066  -3.755   0.178  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.293  -2.403  -0.068  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.288  -1.467   0.183  0.00  0.00    +0.005 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.711   1.798  -1.827  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.727   2.895  -1.490  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.643   3.045  -2.582  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        3.225   3.797  -2.375  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.492   2.724  -0.149  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.318   1.544   0.135  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.224   1.160  -0.958  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.122  -0.008  -0.600  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.784  -0.886   0.446  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        5.613  -1.978   0.735  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.757  -2.214  -0.026  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.084  -1.359  -1.077  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.567  -0.612   1.293  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.270  -0.264  -1.365  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.592   0.376   0.633  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6