REMARK  Name = BDB009033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.321  -0.710  -1.380  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.792  -1.428  -0.920  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.958  -1.543  -1.697  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.986  -0.952  -2.964  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.883  -0.238  -3.429  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.264  -0.114  -2.639  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.947   0.656  -1.744  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.640   0.009  -0.750  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        1.439  -0.643  -0.523  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.346  -1.128   0.361  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.592  -0.164   0.419  0.00  0.00    +0.104 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.921   0.547   0.180  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.872   0.368   1.354  0.00  0.00    +0.170 C 
ATOM     14  O   LIG    1        5.519  -0.293   2.335  0.00  0.00    -0.291 OA
BRANCH  13  15
ATOM     15  C   LIG    1        7.193   0.988   1.292  0.00  0.00    +0.055 A 
ATOM     16  S   LIG    1        7.725   1.911  -0.049  0.00  0.00    -0.094 S 
ATOM     17  C   LIG    1        9.244   2.220   0.669  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        9.356   1.634   1.909  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        8.174   0.924   2.267  0.00  0.00    +0.019 A 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.148  -2.326  -1.193  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.609  -1.902   0.199  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.352  -0.614   0.376  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.694   0.253  -0.803  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.732   1.332  -0.481  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.425   2.010   0.848  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.408   0.993   1.990  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.693  -0.282   1.634  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.360  -1.189   2.761  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.673  -0.927   3.917  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.689  -2.334   2.429  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.457  -2.970   3.185  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.304  -2.702   1.178  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7