REMARK  Name = BDB009271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.455   0.579   2.025  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.189   0.031   2.267  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.909   0.860   2.555  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.706   2.241   2.673  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.560   2.790   2.468  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.634   1.964   2.138  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.763   0.210   1.715  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.630  -0.251   1.623  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.360  -1.500   1.098  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.404  -1.752   0.892  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.387  -2.275   0.422  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.251  -2.215  -1.107  0.00  0.00    +0.057 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.377  -0.816  -1.678  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1        4.642  -0.244  -1.922  0.00  0.00    +0.046 A 
ATOM     15 CL   LIG    1        6.113  -1.113  -1.643  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        4.765   1.061  -2.414  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.631   1.826  -2.670  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        2.372   1.285  -2.433  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.243  -0.019  -1.941  0.00  0.00    +0.046 A 
ATOM     20 CL   LIG    1        0.627  -0.584  -1.668  0.00  0.00    -0.083 Cl
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.285   0.268   2.757  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.680  -0.710   1.650  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.023  -0.192   0.288  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.064   1.284   0.006  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.762   1.628  -1.313  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.309   0.698  -2.432  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.607  -0.763  -2.086  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -3.288  -1.110  -0.658  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -3.273  -2.555  -0.318  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -3.526  -3.419  -1.151  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -2.970  -2.861   0.981  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -2.963  -3.844   1.234  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -2.662  -1.972   1.962  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6