REMARK  Name = BDB041076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.951  -0.403  -0.791  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.633  -0.400  -0.512  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.790   0.151  -1.405  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1       -1.257   0.703  -2.583  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -2.621   0.646  -2.784  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1       -3.485   0.093  -1.918  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.029  -0.454   0.690  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -3.847  -1.053   0.179  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.514  -2.354   0.619  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.325  -3.064   1.504  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.497  -2.489   1.971  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.846  -1.200   1.568  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.781   1.826   1.552  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -5.445   0.970   0.323  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.617   0.957  -0.661  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.374   1.363  -3.577  0.00  0.00    +0.422 C 
ATOM     17  F   LIG    1        0.771   0.665  -3.828  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        0.014   2.614  -3.207  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -0.970   1.515  -4.797  0.00  0.00    -0.166 F 
ENDBRANCH   4  16
BRANCH   3  20
ATOM     20  N   LIG    1        0.574   0.211  -1.094  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        1.149  -0.140  -1.858  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.956  -0.408   0.172  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.455  -0.297   0.335  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.053   0.951   0.552  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.440   1.062   0.694  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.269  -0.069   0.619  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        4.661  -1.315   0.396  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.273  -1.430   0.254  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.726   0.049   0.768  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.611  -0.499  -0.162  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1        8.964  -0.432  -0.082  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        9.473   0.222   0.982  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        8.695   0.807   1.965  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        7.308   0.718   1.853  0.00  0.00    +0.011 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 7