REMARK  Name = BDB030911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.404  -0.201  -1.480  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -0.851   0.788  -2.330  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.211   1.006  -2.296  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1       -3.062   0.320  -1.510  0.00  0.00    -0.202 NA
ATOM      5  C   LIG    1       -2.519  -0.621  -0.721  0.00  0.00    +0.324 A 
ATOM      6  N   LIG    1       -1.217  -0.922  -0.678  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.518   0.799   0.523  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.463  -0.321  -0.332  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.997  -1.259  -0.956  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        3.214  -0.665  -0.885  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        2.054   0.076  -0.658  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.997  -0.560  -1.378  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.530  -1.663  -2.012  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.139   1.224   0.151  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.867  -1.704  -1.725  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.518  -2.405  -2.055  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.370   1.578   0.717  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.579   0.520   1.911  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.679   1.255   1.180  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        5.735   2.234   1.424  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        7.546   1.059   2.439  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.165  -1.531   2.870  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.246  -0.786   2.071  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.036   1.577  -3.222  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -0.661   2.387  -4.072  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.868   2.410  -2.540  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.824   0.814  -4.025  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  O   LIG    1       -3.333  -1.405   0.082  0.00  0.00    -0.422 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.550  -0.891   0.442  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -4.723   0.365   1.008  0.00  0.00    +0.157 A 
ATOM     31  N   LIG    1       -5.919   0.850   1.420  0.00  0.00    -0.257 NA
ATOM     32  C   LIG    1       -6.998   0.044   1.272  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -8.323   0.580   1.724  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1       -6.909  -1.238   0.734  0.00  0.00    +0.026 A 
ATOM     35  C   LIG    1       -5.665  -1.712   0.323  0.00  0.00    +0.050 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6