REMARK  Name = BDB062931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.677  -2.273  -1.221  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.595  -1.441  -0.413  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.718  -0.091  -0.681  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.970   0.385  -1.549  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -2.363  -2.288   0.493  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.724  -3.666   0.405  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.200  -3.698  -1.023  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.678   0.857   0.126  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.157   0.936   1.587  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.403   1.079   2.449  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.410   0.173   1.766  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -4.143   0.351   0.272  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -2.781   2.240  -0.587  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -3.192   2.283  -1.939  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -3.322   3.495  -2.619  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.820   3.502  -4.266  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.058   4.696  -1.972  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.664   4.682  -0.638  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.530   3.469   0.048  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     20  N   LIG    1        1.314  -0.865  -1.007  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        0.650  -0.199  -1.410  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        0.803  -2.127  -0.761  0.00  0.00    +0.238 C 
ATOM     23  O   LIG    1        1.423  -3.066  -0.269  0.00  0.00    -0.273 OA
BRANCH  20  26
ATOM     24  C   LIG    1        4.895  -0.552   0.036  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        3.638  -1.132  -0.193  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        2.608  -0.376  -0.753  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        2.855   0.962  -1.097  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.110   1.536  -0.889  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.133   0.781  -0.322  0.00  0.00    +0.013 A 
BRANCH  24  33
ATOM     30  C   LIG    1        7.837  -1.466   2.218  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        6.848  -0.727   1.474  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        6.603   0.198   1.799  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        5.967  -1.387   0.639  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        6.021  -2.590   0.412  0.00  0.00    -0.270 OA
ENDBRANCH  24  33
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 5