REMARK  Name = BDB021970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.345   0.174   1.020  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.039  -0.926   0.504  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.371  -0.970   0.845  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -2.608  -0.568   1.741  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.486  -1.782  -0.180  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.365  -1.831   0.319  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -4.589  -1.944   1.005  0.00  0.00    +0.062 A 
ATOM      8 CL   LIG    1       -4.869  -1.072   2.475  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1       -5.612  -2.763   0.519  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -5.427  -3.474  -0.664  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.225  -3.361  -1.360  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.201  -2.541  -0.874  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        3.680  -0.988  -0.092  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        2.531  -0.823  -0.993  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        1.593   0.323  -0.612  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.125   0.233   0.852  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        1.855  -0.873   1.630  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        3.350  -0.789   1.327  0.00  0.00    +0.086 C 
BRANCH  13  20
ATOM     19  C   LIG    1        5.534  -0.743  -1.744  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        4.869  -0.219  -0.476  0.00  0.00    +0.081 C 
ENDBRANCH  13  20
ENDBRANCH   1  16
BRANCH   1  21
ATOM     21  C   LIG    1       -1.001   1.430   1.412  0.00  0.00    +0.144 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.005   2.461   0.304  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -1.787   2.268  -0.847  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -1.784   3.216  -1.871  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -1.001   4.356  -1.747  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1       -0.998   5.265  -2.731  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -0.221   4.569  -0.617  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -0.222   3.622   0.409  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5