REMARK  Name = BDB009180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.209  -1.773   0.247  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.204  -1.241   1.070  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.082  -1.804   1.077  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.335  -2.927   0.276  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.668  -3.469  -0.529  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.939  -2.896  -0.543  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        4.527  -1.954   0.049  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.582  -1.191   0.207  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        3.620   0.178   0.319  0.00  0.00    -0.261 N 
ATOM     10  H   LIG    1        2.765   0.713   0.315  0.00  0.00    +0.157 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.733   0.978   0.340  0.00  0.00    +0.165 A 
ATOM     12  S   LIG    1        6.324   0.370   0.343  0.00  0.00    -0.061 S 
ATOM     13  C   LIG    1        6.928   1.973   0.388  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        5.873   2.858   0.405  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1        4.615   2.285   0.382  0.00  0.00    -0.233 NA
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.158  -1.243   1.980  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.474  -0.961   1.260  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.583   0.221   0.346  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.431   1.169   0.164  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -1.829   2.481  -0.520  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -2.749   2.224  -1.707  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.022   1.498  -1.266  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.757   0.386  -0.288  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.876  -0.558  -0.044  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -5.964  -0.427  -0.595  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.620  -1.574   0.835  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -5.372  -2.231   1.016  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -3.446  -1.797   1.481  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4