REMARK  Name = BDB059228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.625  -1.722  -0.048  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.001  -0.399   0.127  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.324   0.334  -0.093  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.440  -2.601  -0.317  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.075  -1.506   0.864  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -1.706  -1.199   0.786  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.829  -2.020   0.061  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.317  -3.168  -0.572  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.673  -3.481  -0.502  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.546  -2.654   0.207  0.00  0.00    +0.004 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -5.074   0.027   0.754  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -4.008  -0.604   1.653  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -4.653  -1.347   2.826  0.00  0.00    +0.012 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  N   LIG    1        2.440  -0.069  -0.338  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1        2.933  -0.948  -0.570  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1        2.487   0.950  -1.715  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1        2.896   0.133  -2.836  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1        1.248   1.704  -1.727  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.810   2.047  -1.288  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1        5.076   1.865  -1.851  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        6.105   2.748  -1.524  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.865   3.807  -0.646  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.596   3.991  -0.095  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.561   3.113  -0.417  0.00  0.00    +0.028 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5