REMARK  Name = BDB021982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.922   1.299  -1.079  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.721   0.142  -0.737  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -1.546  -0.529  -1.027  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -1.278  -1.231  -0.353  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.586  -0.681  -0.048  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -3.347  -1.661  -0.066  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.842  -0.344   0.495  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.616  -1.388   1.018  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -6.867  -1.123   1.579  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1       -7.807  -2.418   2.214  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1       -7.359   0.177   1.632  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -6.592   1.221   1.120  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.338   0.961   0.556  0.00  0.00    +0.023 A 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1       -0.446   0.151  -1.710  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1        0.470  -0.881  -2.378  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.917  -0.401  -2.399  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        2.442  -0.255  -1.037  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.496   0.365  -0.096  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.326   1.084  -0.766  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1        3.755   0.411  -1.054  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.539   0.226   0.229  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        4.786  -1.058   0.737  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.526  -1.229   1.908  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.034  -0.119   2.580  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.803   1.162   2.082  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.062   1.335   0.911  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 4