REMARK  Name = BDB053230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.483  -0.890  -0.080  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.591  -0.007   0.018  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -2.896  -0.554   0.057  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -4.078   0.343   0.159  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1       -3.817   1.692   0.210  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1       -4.633   2.289   0.280  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -2.565   2.233   0.173  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1       -5.225  -0.088   0.196  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.112  -1.933   0.002  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.026  -2.790  -0.093  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.474   1.466   0.082  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -0.729  -2.272  -0.134  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1        2.133  -2.272  -0.277  0.00  0.00    -0.269 OA
ATOM     14  C   LIG    1        2.046  -1.049  -0.215  0.00  0.00    +0.255 C 
ATOM     15  N   LIG    1        0.839  -0.365  -0.121  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        0.912   0.634  -0.077  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        3.232  -0.180  -0.233  0.00  0.00    +0.074 A 
ATOM     18  S   LIG    1        4.786  -0.921  -0.346  0.00  0.00    -0.092 S 
ATOM     19  C   LIG    1        5.595   0.580  -0.315  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.720   1.635  -0.221  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.360   1.200  -0.173  0.00  0.00    +0.021 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2