REMARK  Name = BDB053120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.122  -1.284   1.470  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -1.258  -0.382   1.484  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -2.386  -1.279   1.038  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -1.893  -2.554   0.766  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.697  -3.592   0.334  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -4.057  -3.324   0.172  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.573  -2.044   0.448  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.738  -1.011   0.887  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.454  -2.555   1.041  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.269  -3.526   0.921  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.094   0.853   0.607  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.843   0.728  -0.775  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.672   1.856  -1.583  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.755   3.126  -1.021  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -0.534   4.516  -2.011  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.015   3.279   0.338  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.184   2.150   1.145  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -1.484  -0.045   2.842  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -1.495  -0.895   3.310  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        1.214  -0.902   1.893  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1        3.516   0.912  -1.285  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        3.179  -0.445  -1.346  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.446  -1.034  -0.313  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.036  -0.275   0.793  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.391   1.081   0.854  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.123   1.673  -0.179  0.00  0.00    +0.015 A 
BRANCH  21  28
ATOM     27  O   LIG    1        4.633   0.910  -3.418  0.00  0.00    -0.245 OA
ATOM     28  C   LIG    1        4.281   1.498  -2.412  0.00  0.00    +0.337 C 
BRANCH  28  29
ATOM     29  O   LIG    1        4.572   2.798  -2.226  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        5.065   3.045  -3.037  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6