REMARK  Name = BDB021420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.084  -1.930   1.716  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.185   0.525   2.245  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.763  -0.158   1.396  0.00  0.00    +0.250 C 
ATOM      4  N   LIG    1        2.298  -1.422   1.063  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        2.834  -2.192  -0.049  0.00  0.00    +0.149 C 
ATOM      6  C   LIG    1        2.797  -1.362  -1.318  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.011  -0.650  -1.512  0.00  0.00    -0.490 OA
ATOM      8  C   LIG    1        4.491   0.161  -0.525  0.00  0.00    +0.134 A 
ATOM      9  C   LIG    1        5.672   0.806  -0.941  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        6.348   1.692  -0.106  0.00  0.00    +0.021 A 
ATOM     11 BR   LIG    1        7.928   2.537  -0.706  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        5.862   1.954   1.163  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.694   1.319   1.589  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.992   0.410   0.762  0.00  0.00    +0.079 A 
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.231  -1.647   0.963  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.221  -2.275  -0.331  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -0.926  -1.808  -0.829  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -0.548  -0.146   0.788  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.762   0.061  -0.044  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.990  -0.295   0.703  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.271   0.079  -0.014  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.276   1.056  -1.024  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.479   1.405  -1.652  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.676   0.806  -1.262  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.679  -0.148  -0.247  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.979   1.679  -1.471  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.484  -0.508   0.376  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -1.848   1.476  -0.455  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5