REMARK  Name = BDB002220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.178   0.096   0.343  0.00  0.00    +0.144 A 
ATOM      2  O   LIG    1        0.240   1.281   1.096  0.00  0.00    -0.421 OA
ATOM      3  C   LIG    1        1.372   2.048   1.091  0.00  0.00    +0.356 A 
ATOM      4  O   LIG    1        1.426   3.089   1.739  0.00  0.00    -0.244 OA
ATOM      5  C   LIG    1        2.530   1.570   0.300  0.00  0.00    +0.149 A 
ATOM      6  C   LIG    1        2.445   0.410  -0.379  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        1.217  -0.346  -0.372  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.272  -0.013  -0.189  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.119  -0.593   0.379  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -1.207  -1.849   1.000  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.424  -2.526   1.057  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.561  -1.954   0.494  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.487  -0.704  -0.128  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -3.274   1.898  -1.210  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -2.103   1.205  -0.799  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   5  16
ATOM     16  C   LIG    1        3.700   2.379   0.322  0.00  0.00    +0.107 C 
ATOM     17  N   LIG    1        4.678   3.005   0.337  0.00  0.00    -0.191 NA
ENDBRANCH   5  16
BRANCH   6  18
ATOM     18  S   LIG    1        3.743  -0.245  -1.346  0.00  0.00    -0.127 S 
ATOM     19  C   LIG    1        4.653  -1.162  -0.078  0.00  0.00    +0.090 C 
ENDBRANCH   6  18
TORSDOF 4