REMARK  Name = BDB023395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.508  -1.877   0.263  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1        2.683  -1.121   0.141  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        2.660  -0.135  -0.074  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.520  -3.071   0.523  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.133  -0.070  -0.333  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -3.255  -1.138  -0.069  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -1.890  -0.858  -0.081  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -1.352   0.394  -0.333  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        0.057   0.233  -0.248  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        0.301  -1.100   0.051  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1       -2.228   1.459  -0.596  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1       -0.900  -1.758   0.150  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1       -3.611   1.210  -0.592  0.00  0.00    +0.005 A 
BRANCH   5  15
ATOM     14  C   LIG    1       -6.340   0.479   0.759  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -5.632  -0.329  -0.331  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -6.252  -0.056  -1.703  0.00  0.00    +0.012 C 
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  S   LIG    1        4.189  -1.797   0.342  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1        4.356  -2.168   1.729  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        4.445  -2.707  -0.751  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.206  -0.358   0.066  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        5.562   0.453   1.148  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        6.351   1.581   0.926  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.784   1.889  -0.365  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.436   1.067  -1.439  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.647  -0.063  -1.227  0.00  0.00    +0.029 A 
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 4