REMARK  Name = BDB040468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.338   2.253  -1.563  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.991   1.340  -0.415  0.00  0.00    -0.045 A 
ATOM      3  C   LIG    1        2.830   0.271  -0.004  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.407  -0.515   1.093  0.00  0.00    +0.045 A 
ATOM      5 CL   LIG    1        3.347  -1.821   1.737  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        1.189  -0.269   1.737  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        0.359   0.772   1.322  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1        0.769   1.566   0.246  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        4.151   0.012  -0.732  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1        4.319  -1.427  -1.216  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        3.398  -2.096  -1.682  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.597  -1.933  -1.196  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        5.696  -2.881  -1.535  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.768  -1.239  -1.033  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.854  -1.764  -1.262  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.641   0.218  -0.660  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.351   0.482   0.099  0.00  0.00    +0.027 C 
ENDBRANCH   3   9
BRANCH   7  18
ATOM     18  C   LIG    1       -0.976   1.010   1.979  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.025   0.373   1.220  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.087  -0.636   1.254  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.813   1.067   0.324  0.00  0.00    +0.223 C 
ATOM     22  O   LIG    1       -2.741   2.287   0.194  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.768   0.183  -0.522  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -4.652   1.085  -1.409  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -2.872  -0.654  -1.464  0.00  0.00    +0.025 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.686  -0.656   0.382  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.398  -0.036   1.423  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -6.222  -0.801   2.236  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1       -6.392  -2.130   2.090  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -5.718  -2.715   1.080  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -4.870  -2.034   0.215  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   7  18
TORSDOF 5