REMARK  Name = BDB028798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.167   1.542  -1.678  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.401   0.544  -0.756  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -3.810   0.915  -1.223  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -4.193   2.071  -1.398  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -4.706  -0.121  -1.351  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -5.643   0.149  -1.621  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.578  -1.394  -0.859  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.543  -2.147  -0.785  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.217  -1.772  -0.331  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.127  -0.942  -0.990  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  13
ATOM     11  C   LIG    1        2.381   0.591   0.072  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        1.302   0.663  -0.815  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1        0.194   1.467  -0.532  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.175   2.221   0.642  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        1.246   2.150   1.534  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.344   1.333   1.252  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        3.384  -0.247  -0.326  0.00  0.00    -0.492 OA
BRANCH  17  19
ATOM     18  C   LIG    1        4.584  -1.285   1.506  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        4.613  -0.245   0.399  0.00  0.00    +0.225 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  13
TORSDOF 4