REMARK  Name = BDB062626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.308   0.176  -2.866  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.020   0.155  -3.844  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.714   0.120  -1.881  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.810   0.973  -1.963  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.764   0.913  -0.955  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -3.986   1.767  -0.844  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1       -4.679   1.159   0.374  0.00  0.00    +0.118 C 
ATOM      8  N   LIG    1       -3.751   0.195   0.985  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1       -4.101  -0.400   2.178  0.00  0.00    +0.217 C 
ATOM     10  O   LIG    1       -5.181  -0.153   2.724  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -3.153  -1.359   2.839  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -2.644   0.036   0.130  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -1.549  -0.808   0.210  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.578  -0.760  -0.801  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.562   1.289  -2.642  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        2.281   1.339  -3.898  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.033   2.494  -2.040  0.00  0.00    -0.150 OA
BRANCH  15  21
ATOM     18  C   LIG    1        4.261  -0.822   0.378  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        4.245  -1.224  -0.962  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.424  -0.582  -1.890  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        2.605   0.466  -1.466  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        2.619   0.885  -0.133  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1        3.446   0.236   0.789  0.00  0.00    +0.047 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.208  -1.137   2.537  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.108  -1.540   1.177  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 4