REMARK  Name = BDB061334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.360  -0.849   1.759  0.00  0.00    +0.234 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.623  -1.978   1.446  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1        4.504  -0.411   0.422  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        3.580  -0.684  -0.581  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.321  -1.191  -0.249  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.987  -1.450   1.087  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1        2.937  -1.199   2.086  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        4.194  -0.695   1.752  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1        5.759   0.054   0.155  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1        4.972   2.388   0.521  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.864   1.423  -0.283  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1        7.334   1.792  -0.012  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1        5.661   1.593  -1.801  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1        5.672   0.718  -2.654  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.511   2.880  -2.189  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        5.433   2.820  -3.165  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -1.640  -1.380   2.104  0.00  0.00    -0.490 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.585  -1.547   1.128  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1       -3.883  -1.874   1.557  0.00  0.00    +0.085 A 
ATOM     20 CL   LIG    1       -4.259  -2.045   3.238  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -4.917  -2.071   0.638  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1       -4.678  -1.926  -0.729  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.380  -1.638  -1.162  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -2.342  -1.443  -0.244  0.00  0.00    +0.049 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -5.708  -2.149  -1.663  0.00  0.00    -0.149 NA
ATOM     26  N   LIG    1       -6.444  -1.200  -2.042  0.00  0.00    -0.149 NA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.244   0.104  -1.548  0.00  0.00    +0.086 A 
ATOM     28  C   LIG    1       -5.418   1.002  -2.235  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1       -5.242   2.305  -1.765  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.906   2.725  -0.613  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.755   1.848   0.062  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.930   0.546  -0.411  0.00  0.00    +0.029 A 
ENDBRANCH  26  27
ENDBRANCH  22  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10