REMARK  Name = BDB041115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.057  -2.155   0.961  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.875  -1.530   0.804  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.815  -1.975   1.505  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -0.928  -3.046   2.370  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -2.176  -3.626   2.462  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1       -3.248  -3.215   1.764  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.598  -0.344   0.018  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -4.199  -1.702   0.148  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.939  -2.682  -0.555  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -6.010  -2.348  -1.383  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.372  -1.018  -1.532  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.675  -0.029  -0.841  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.065   1.644  -0.170  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -3.909   0.788   0.779  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.900   1.663   1.558  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        0.199  -3.545   3.197  0.00  0.00    +0.422 C 
ATOM     17  F   LIG    1        0.451  -2.771   4.288  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        1.375  -3.633   2.511  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -0.018  -4.801   3.688  0.00  0.00    -0.166 F 
ENDBRANCH   4  16
BRANCH   3  20
ATOM     20  N   LIG    1        0.409  -1.296   1.387  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1        1.161  -1.953   1.186  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.406  -0.157   0.466  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.794   0.510   0.445  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        2.834  -0.326  -0.333  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        3.081   0.236  -1.731  0.00  0.00    +0.107 C 
ATOM     26  N   LIG    1        3.587   1.615  -1.659  0.00  0.00    -0.315 N 
ATOM     27  C   LIG    1        3.025   2.464  -0.596  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        1.671   1.934  -0.134  0.00  0.00    +0.024 C 
BRANCH  26  29
ATOM     29  C   LIG    1        4.984   1.744  -1.782  0.00  0.00    +0.121 A 
ATOM     30  N   LIG    1        5.771   0.649  -1.712  0.00  0.00    -0.240 NA
ATOM     31  C   LIG    1        7.109   0.804  -1.833  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1        7.732   2.021  -2.028  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        6.929   3.147  -2.112  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.547   3.007  -1.990  0.00  0.00    +0.043 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 7