REMARK  Name = BDB021730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.953   0.408  -0.901  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.740  -0.447  -0.126  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.091  -0.197  -0.202  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.354   0.738  -0.487  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.246  -1.325   0.575  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.147  -0.951   0.363  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -5.429  -0.375   0.411  0.00  0.00    +0.062 A 
ATOM      8 CL   LIG    1       -5.710   1.225  -0.189  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1       -6.511  -1.075   0.950  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -6.327  -2.367   1.442  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.063  -2.973   1.388  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -3.980  -2.253   0.848  0.00  0.00    +0.037 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.849  -4.368   1.927  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -4.005  -5.112   1.161  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.324  -4.365   3.182  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.004  -5.089   2.008  0.00  0.00    -0.166 F 
ENDBRANCH  11  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        3.074  -0.623   0.347  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        2.512   0.688   0.733  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.986   0.782   0.658  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.518   0.386  -0.751  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        1.153  -0.932  -1.226  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        2.047  -1.546  -0.151  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.298  -0.490  -0.476  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        4.821  -1.815  -1.057  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        5.452   0.221   0.288  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.292  -0.927   2.590  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.162  -0.567   1.398  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.477   1.173  -2.037  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.623   2.656  -1.776  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.622   3.539  -2.868  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.792   4.912  -2.679  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.976   5.421  -1.397  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.991   4.559  -0.304  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.821   3.185  -0.491  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8