REMARK  Name = BDB000503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921  -0.993   1.334  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.310  -1.325   0.499  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.453  -0.714   1.095  0.00  0.00    -0.492 OA
BRANCH   3   7
ATOM      4  C   LIG    1        5.263  -1.077  -0.633  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        5.014  -0.328   0.528  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        3.728  -0.234   1.070  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.654  -0.887   0.467  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        2.880  -1.637  -0.684  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.171  -1.731  -1.228  0.00  0.00    +0.014 A 
BRANCH   4  12
ATOM     10  C   LIG    1        8.833  -0.784  -1.287  0.00  0.00    +0.223 A 
ATOM     11  N   LIG    1        7.677  -0.564  -0.569  0.00  0.00    -0.205 NA
ATOM     12  C   LIG    1        6.644  -1.138  -1.159  0.00  0.00    +0.112 A 
ATOM     13  S   LIG    1        7.038  -1.972  -2.619  0.00  0.00    -0.072 S 
ATOM     14  C   LIG    1        8.678  -1.530  -2.432  0.00  0.00    +0.114 A 
BRANCH  10  15
ATOM     15  O   LIG    1       10.064  -0.328  -0.956  0.00  0.00    -0.476 OA
BRANCH  15  17
ATOM     16  C   LIG    1        9.743   1.876   0.017  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       10.085   0.416   0.263  0.00  0.00    +0.227 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   4  12
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.171   0.511   1.417  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.370   0.776   2.149  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.554   0.855   1.468  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -3.751   0.557   0.118  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.028   0.691  -0.412  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -5.471   0.403  -1.811  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -6.822   1.133  -1.852  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -7.387   1.126  -0.411  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -6.106   1.094   0.381  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -5.928   1.384   1.722  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.644   1.263   2.259  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -8.260  -0.094  -0.109  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -9.605   0.009  -0.771  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1      -10.048   0.944  -1.415  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1      -10.348  -1.099  -0.575  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1      -11.191  -0.909  -1.038  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12