REMARK  Name = BDB021973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.053   0.753   0.008  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.122  -0.311  -0.587  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.023  -1.085  -0.901  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        1.213  -2.073  -0.987  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.274  -0.905  -1.054  0.00  0.00    -0.268 N 
ATOM      6  H   LIG    1        3.145  -1.639  -1.738  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.609  -0.474  -0.876  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.625  -1.123  -1.602  0.00  0.00    +0.062 A 
ATOM      9 CL   LIG    1        5.255  -2.416  -2.693  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        6.961  -0.742  -1.465  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        7.304   0.292  -0.594  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        6.314   0.945   0.153  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        4.969   0.555   0.001  0.00  0.00    +0.037 A 
BRANCH  12  14
ATOM     14  C   LIG    1        6.668   2.075   1.092  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        6.002   2.011   2.277  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        7.993   2.102   1.416  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.391   3.297   0.564  0.00  0.00    -0.166 F 
ENDBRANCH  12  14
ENDBRANCH   5   7
BRANCH   3  18
ATOM     18  C   LIG    1       -0.346  -0.743  -0.519  0.00  0.00    +0.077 C 
ATOM     19  C   LIG    1       -0.566  -0.737   0.995  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -2.030  -0.436   1.321  0.00  0.00    +0.086 C 
ATOM     21  N   LIG    1       -2.458   0.822   0.708  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -2.299   0.822  -0.748  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1       -0.843   0.565  -1.141  0.00  0.00    +0.038 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.784   1.274   1.154  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.965   0.399   0.782  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -5.393  -0.627   1.638  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.481  -1.431   1.296  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.156  -1.218   0.096  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.746  -0.199  -0.761  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.658   0.606  -0.420  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   3  18
TORSDOF 5