REMARK  Name = BDB032976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.247   1.017   0.045  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.958   0.379  -0.140  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.051  -0.303  -0.881  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.533   1.788   0.952  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.431  -0.609  -1.476  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1       -1.278   0.706  -0.996  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -2.119   1.723  -1.500  0.00  0.00    -0.035 A 
ATOM      8  C   LIG    1       -2.029   3.152  -1.034  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.086   1.393  -2.466  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.206   0.089  -2.948  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.373  -0.912  -2.461  0.00  0.00    +0.046 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -0.617  -1.625  -1.035  0.00  0.00    -0.491 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -0.272  -3.342   0.589  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -1.281  -2.379  -0.009  0.00  0.00    +0.226 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1        2.019   0.537   0.703  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1        3.365  -0.442   0.307  0.00  0.00    -0.028 S 
ATOM     17  C   LIG    1        4.192   0.221   1.638  0.00  0.00    +0.185 A 
ATOM     18  C   LIG    1        3.408   1.137   2.296  0.00  0.00    +0.153 A 
ATOM     19  N   LIG    1        2.151   1.315   1.748  0.00  0.00    -0.231 NA
BRANCH  17  20
ATOM     20  N   LIG    1        5.524  -0.169   1.970  0.00  0.00    +0.065 N 
ATOM     21  O   LIG    1        6.077  -1.020   1.261  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.028   0.382   2.956  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   2  15
TORSDOF 5