REMARK  Name = BDB062948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.160  -1.643   0.537  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.085  -0.556   0.864  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -2.179  -0.359   0.045  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -2.336  -1.147  -0.899  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.643   0.142   2.065  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.731  -0.435   2.386  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.661  -1.843   1.810  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -3.167   0.848   0.234  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.393   2.151  -0.105  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -2.979   3.215   0.812  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -3.209   2.471   2.114  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.668   1.076   1.691  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.452   0.623  -0.620  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -5.208  -0.555  -0.418  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -6.381  -0.805  -1.135  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.827   0.122  -2.067  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -8.272  -0.177  -2.952  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -6.111   1.295  -2.284  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.935   1.544  -1.565  0.00  0.00    +0.006 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     20  N   LIG    1        1.346  -2.338  -1.270  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.130  -3.274  -0.956  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        0.773  -1.254  -0.634  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        1.048  -0.089  -0.919  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1        2.329  -2.180  -2.316  0.00  0.00    +0.139 C 
BRANCH  24  27
ATOM     25  C   LIG    1        5.506  -0.794  -0.728  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.245  -0.872  -1.330  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        3.716  -2.111  -1.731  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        4.472  -3.273  -1.529  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.741  -3.198  -0.954  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.257  -1.963  -0.556  0.00  0.00    +0.013 A 
BRANCH  25  34
ATOM     31  C   LIG    1        5.666   2.780   0.527  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        5.205   1.527  -0.014  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1        4.215   1.325   0.045  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        6.091   0.500  -0.269  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        7.303   0.602  -0.104  0.00  0.00    -0.270 OA
ENDBRANCH  25  34
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH   1  22
TORSDOF 6