REMARK  Name = BDB028832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.854  -0.182  -1.590  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -4.609   2.244   0.521  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -3.785   1.357   0.314  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -4.098   0.274  -0.466  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -5.048   0.241  -0.811  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -3.338  -0.848  -0.703  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -3.820  -1.813  -1.296  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.896  -0.817  -0.216  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -1.805   0.020   1.060  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -2.382   1.415   0.868  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        0.757  -0.623  -0.970  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.619   0.377  -0.512  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.886   0.057   0.001  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1        3.288  -1.286   0.016  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        2.437  -2.286  -0.457  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.174  -1.955  -0.949  0.00  0.00    +0.015 A 
BRANCH  13  17
ATOM     17  C   LIG    1        3.818   1.139   0.475  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.108   2.076   1.273  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        3.753   2.747   1.553  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1  11
TORSDOF 4