REMARK  Name = BDB051173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.129   0.620  -0.093  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.485   1.812  -0.047  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.742   1.872   0.419  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.375   0.727   0.859  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.694  -0.472   0.771  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -0.450  -0.520   0.284  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.371   3.111   0.490  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.808   3.219   0.180  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.094   4.397  -0.781  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.632   5.707  -0.281  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.558   6.677  -1.369  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.342   5.588   0.438  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.550   4.288   0.167  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.428   0.651  -0.600  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        1.669   1.610  -0.800  0.00  0.00    +0.155 HD
BRANCH  14  20
ATOM     16  C   LIG    1        4.575  -2.161  -0.967  0.00  0.00    +0.094 A 
ATOM     17  C   LIG    1        4.688  -0.869  -1.471  0.00  0.00    +0.139 A 
ATOM     18  F   LIG    1        5.783  -0.464  -2.130  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        3.642   0.048  -1.331  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        2.450  -0.300  -0.678  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        2.336  -1.610  -0.200  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        3.383  -2.532  -0.337  0.00  0.00    +0.019 A 
BRANCH  16  23
ATOM     23  C   LIG    1        5.647  -3.174  -1.084  0.00  0.00    +0.342 C 
ATOM     24  O   LIG    1        5.442  -4.375  -0.980  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        7.941  -3.514  -1.363  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        6.856  -2.592  -1.262  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH  16  23
ENDBRANCH  14  20
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  N   LIG    1       -2.350  -1.641   1.230  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -3.306  -1.655   0.903  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -1.794  -2.830   1.558  0.00  0.00    +0.146 A 
ATOM     30  N   LIG    1       -0.547  -3.067   1.971  0.00  0.00    -0.158 NA
ATOM     31  N   LIG    1       -0.500  -4.387   2.183  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1        0.378  -4.789   2.493  0.00  0.00    +0.189 HD
ATOM     33  C   LIG    1       -1.687  -5.022   1.955  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1       -1.858  -6.478   2.142  0.00  0.00    +0.065 C 
ATOM     35  C   LIG    1       -2.553  -4.029   1.553  0.00  0.00    +0.068 A 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 7