REMARK  Name = BDB062634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.880   2.156   2.153  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.168   1.762   3.348  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.932   3.153   2.237  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.001  -0.538   1.427  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.579   0.731   1.337  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1       -2.765   0.927   0.600  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.399  -0.128  -0.080  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -2.802  -1.390   0.016  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.628  -1.592   0.758  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -4.690   0.128  -0.878  0.00  0.00    -0.013 C 
ATOM     11  C   LIG    1       -5.788   0.660   0.068  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -4.419   1.173  -1.982  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -5.255  -1.133  -1.571  0.00  0.00    +0.015 C 
ENDBRANCH   7  10
BRANCH   4  15
ATOM     14  C   LIG    1        0.836  -1.917   2.088  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        0.142  -0.679   2.156  0.00  0.00    -0.493 OA
ENDBRANCH   4  15
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  N   LIG    1        0.206   2.774   1.007  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1       -0.269   3.352   0.317  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.274   1.952   0.555  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        2.323   1.633   1.417  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.326   0.796   0.951  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        4.517   0.308   1.709  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1        5.257  -0.513   0.646  0.00  0.00    +0.118 C 
ATOM     23  N   LIG    1        4.411  -0.550  -0.561  0.00  0.00    -0.271 N 
ATOM     24  C   LIG    1        4.691  -1.243  -1.725  0.00  0.00    +0.217 C 
ATOM     25  O   LIG    1        3.973  -1.271  -2.723  0.00  0.00    -0.276 OA
ATOM     26  C   LIG    1        5.986  -2.021  -1.717  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1        3.291   0.273  -0.342  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        2.252   0.585  -1.203  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        1.237   1.435  -0.748  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5