REMARK  Name = BDB003073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.595  -0.224   2.707  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.941  -0.315   1.533  0.00  0.00    +0.282 A 
ATOM      3  C   LIG    1        2.291   0.155   1.188  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        2.606   0.479  -0.115  0.00  0.00    +0.116 A 
ATOM      5  N   LIG    1        3.836   0.930  -0.477  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1        4.768   1.061   0.493  0.00  0.00    +0.112 A 
ATOM      7  C   LIG    1        4.533   0.768   1.824  0.00  0.00    +0.020 A 
ATOM      8  S   LIG    1        1.418   0.392  -1.411  0.00  0.00    -0.034 S 
ATOM      9  C   LIG    1        0.235  -0.652  -0.673  0.00  0.00    +0.164 A 
ATOM     10  C   LIG    1        3.269   0.310   2.178  0.00  0.00    +0.017 A 
ATOM     11  N   LIG    1        0.133  -0.885   0.591  0.00  0.00    -0.187 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -0.604  -1.212  -1.597  0.00  0.00    -0.316 N 
ATOM     13  H   LIG    1       -0.601  -0.735  -2.492  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.920  -1.704  -1.226  0.00  0.00    +0.177 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.925  -0.628  -1.007  0.00  0.00    +0.122 A 
ATOM     16  O   LIG    1       -3.570  -0.158  -2.114  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1       -4.418   0.816  -1.691  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -4.321   0.983  -0.330  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -3.352   0.052   0.115  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   9  12
TORSDOF 3