REMARK  Name = BDB057316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.447  -0.394   1.037  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        2.425   0.901   1.563  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.229   1.622   1.610  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.043   1.070   1.123  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.056  -0.225   0.609  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.252  -0.951   0.562  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.736  -1.184   0.973  0.00  0.00    +0.059 C 
BRANCH   7  11
ATOM      8  O   LIG    1        7.941  -2.096  -1.393  0.00  0.00    -0.263 OA
ATOM      9  C   LIG    1        6.863  -1.604  -1.111  0.00  0.00    +0.279 C 
ATOM     10  S   LIG    1        5.429  -2.532  -0.765  0.00  0.00    -0.054 S 
ATOM     11  C   LIG    1        4.429  -1.047  -0.383  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1        5.432   0.094  -0.411  0.00  0.00    +0.234 C 
ATOM     13  O   LIG    1        5.241   1.227   0.010  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        6.614  -0.282  -0.975  0.00  0.00    -0.246 N 
ATOM     15  H   LIG    1        7.382   0.369  -1.015  0.00  0.00    +0.158 HD
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1       -1.056   1.876   1.233  0.00  0.00    -0.484 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.154   1.611   0.372  0.00  0.00    +0.308 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.190   0.625   0.916  0.00  0.00    +0.200 C 
ATOM     19  O   LIG    1       -3.067   0.057   2.000  0.00  0.00    -0.288 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -4.398   0.334   0.081  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -4.630   0.955  -1.153  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.775   0.641  -1.893  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.691  -0.290  -1.407  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.469  -0.911  -0.181  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.327  -0.601   0.561  0.00  0.00    +0.011 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6