REMARK  Name = BDB030888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.044   0.398   1.598  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -0.776   1.093   2.462  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.125   0.919   2.239  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1       -2.636   0.154   1.256  0.00  0.00    -0.203 NA
ATOM      5  C   LIG    1       -1.753  -0.457   0.462  0.00  0.00    +0.319 A 
ATOM      6  N   LIG    1       -0.427  -0.365   0.588  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.756   1.340  -0.865  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.891   0.933   0.479  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        6.536   0.954   1.437  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        3.716   0.649   1.201  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        2.439   0.795   0.660  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.496   0.434   1.674  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.220   0.051   2.785  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.322   1.260  -0.664  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.549   0.216   2.500  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        4.315   0.021   3.132  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.478   1.539  -1.403  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.955   0.877  -1.961  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.831   1.629  -1.731  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        5.666   2.270  -2.495  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        7.808   1.253  -2.759  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.128  -1.115  -1.607  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.976  -0.322  -1.325  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.294   1.973   3.556  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        0.683   2.841   3.179  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -1.286   2.759   4.071  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.194   1.280   4.621  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  O   LIG    1       -2.170  -1.252  -0.573  0.00  0.00    -0.458 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.566  -1.349  -0.870  0.00  0.00    +0.191 C 
ATOM     30  C   LIG    1       -4.235  -0.025  -1.306  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1       -5.652  -0.155  -1.692  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1       -5.817  -0.763  -3.010  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -6.420  -0.854  -0.651  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -5.843  -2.214  -0.241  0.00  0.00    +0.019 C 
ATOM     35  C   LIG    1       -4.382  -2.099   0.189  0.00  0.00    +0.047 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6