REMARK  Name = BDB021985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.704  -2.225   0.432  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        2.236  -1.121   0.694  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1        2.877   0.096   0.561  0.00  0.00    -0.283 N 
ATOM      4  H   LIG    1        2.282   0.901   0.764  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        4.176   0.370   0.091  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        4.569   1.713  -0.051  0.00  0.00    +0.062 A 
ATOM      7 CL   LIG    1        3.485   3.008   0.332  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1        5.845   2.042  -0.514  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        6.749   1.032  -0.839  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.386  -0.315  -0.699  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.094  -0.633  -0.237  0.00  0.00    +0.037 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.348  -1.423  -1.059  0.00  0.00    +0.417 C 
ATOM     13  F   LIG    1        7.412  -2.398  -0.112  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        7.011  -2.045  -2.222  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        8.629  -0.987  -1.228  0.00  0.00    -0.166 F 
ENDBRANCH  10  12
ENDBRANCH   3   5
BRANCH   2  16
ATOM     16  C   LIG    1        0.827  -0.973   1.289  0.00  0.00    +0.180 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.188   0.297   0.862  0.00  0.00    -0.292 NA
ATOM     18  C   LIG    1       -0.169   0.244  -0.581  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1       -1.361   1.154  -0.950  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1       -2.615   0.817  -0.247  0.00  0.00    -0.296 NA
ATOM     21  C   LIG    1       -2.344   0.143   1.042  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1       -1.011   0.590   1.682  0.00  0.00    +0.100 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.517   0.021  -1.095  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.891  -0.181  -0.491  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1       -5.700   0.922  -0.179  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -6.971   0.739   0.368  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.447  -0.548   0.607  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.655  -1.653   0.300  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.383  -1.471  -0.247  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6