REMARK  Name = BDB051695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.869  -0.427   0.513  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.132   0.313  -0.121  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.452   0.316   0.364  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.783  -0.435   1.505  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        3.027  -0.462   2.006  0.00  0.00    -0.255 NA
ATOM      6  C   LIG    1        3.975   0.271   1.374  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        3.783   1.042   0.228  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1        0.778  -1.166   2.121  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        2.473   1.054  -0.261  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.539  -1.171   1.640  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.936   1.797  -0.392  0.00  0.00    +0.033 C 
ATOM     12  C   LIG    1        5.709   1.207  -1.561  0.00  0.00    +0.083 C 
ATOM     13  C   LIG    1        4.869   2.450  -1.746  0.00  0.00    +0.022 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.303  -0.031  -2.267  0.00  0.00    +0.214 C 
ATOM     15  O   LIG    1        4.896  -0.010  -3.419  0.00  0.00    -0.276 OA
ATOM     16  N   LIG    1        5.442  -1.183  -1.557  0.00  0.00    -0.329 N 
ATOM     17  H   LIG    1        5.599  -1.179  -0.560  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        5.054  -2.020  -1.972  0.00  0.00    +0.145 HD
ENDBRANCH  12  14
ENDBRANCH   7  11
BRANCH   1  19
ATOM     19  O   LIG    1       -2.096  -0.326  -0.072  0.00  0.00    -0.484 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -3.223  -2.499  -0.025  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1       -3.216  -1.046   0.456  0.00  0.00    +0.203 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.508  -0.337   0.046  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -4.744   0.124  -1.271  0.00  0.00    +0.084 A 
ATOM     24 CL   LIG    1       -3.618  -0.102  -2.570  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -5.941   0.779  -1.595  0.00  0.00    +0.142 A 
ATOM     26  F   LIG    1       -6.165   1.221  -2.842  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -6.932   0.982  -0.645  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -6.736   0.515   0.648  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.544  -0.141   0.990  0.00  0.00    +0.049 A 
ATOM     30 CL   LIG    1       -5.444  -0.714   2.622  0.00  0.00    -0.083 Cl
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5