REMARK  Name = BDB055761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.471   1.068  -1.715  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.793   0.452  -0.706  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.067  -0.222   0.135  0.00  0.00    -0.279 N 
ATOM      4  H   LIG    1       -0.336  -0.687   0.945  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.245   0.357  -0.377  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.776   0.368   0.921  0.00  0.00    +0.053 A 
ATOM      7 CL   LIG    1       -1.812   0.540   2.345  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -4.161   0.266   1.110  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -5.021   0.164   0.016  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.503   0.171  -1.276  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.125   0.271  -1.471  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  12
ATOM     12  C   LIG    1        1.474  -0.315   0.044  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        2.124  -1.044   1.051  0.00  0.00    +0.145 A 
ATOM     14  F   LIG    1        1.397  -1.610   2.028  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1        3.507  -1.202   1.068  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        4.275  -0.623   0.060  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        3.639   0.107  -0.956  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1        2.242   0.264  -0.969  0.00  0.00    +0.059 A 
BRANCH  17  19
ATOM     19  N   LIG    1        4.451   0.714  -2.021  0.00  0.00    +0.056 N 
ATOM     20  O   LIG    1        5.684   0.644  -1.910  0.00  0.00    -0.126 OA
ATOM     21  O   LIG    1        3.861   1.255  -2.965  0.00  0.00    -0.126 OA
ENDBRANCH  17  19
ENDBRANCH   3  12
TORSDOF 3