REMARK  Name = BDB033994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.468   0.506  -0.057  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.626   2.979  -0.281  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.591   1.729  -0.863  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -0.607   1.663  -1.873  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.531   3.155   0.928  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -0.839   5.465  -0.638  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.783   4.096  -1.293  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.879  -0.739  -0.866  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.349  -0.742  -1.164  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1       -2.929  -0.284  -2.714  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -4.547  -0.554  -2.189  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -4.527  -0.981  -0.860  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -5.750  -1.263  -0.218  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -6.953  -1.113  -0.917  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -6.942  -0.686  -2.241  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -8.433  -0.507  -3.085  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.746  -0.399  -2.904  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1       -3.270  -1.086  -0.291  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.976   0.355   0.475  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.126  -0.741   1.420  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        0.380  -0.890   2.095  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        2.309  -1.279   1.864  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        2.282  -1.961   2.887  0.00  0.00    -0.275 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.565  -0.971   1.070  0.00  0.00    +0.151 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.764  -1.811   1.429  0.00  0.00    +0.050 A 
ATOM     26  N   LIG    1        5.309  -2.550   0.427  0.00  0.00    -0.259 NA
ATOM     27  C   LIG    1        6.404  -3.286   0.721  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        7.004  -3.314   1.967  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.448  -2.541   2.978  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.317  -1.774   2.708  0.00  0.00    +0.024 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8