REMARK  Name = BDB018962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.812   0.011   0.404  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1       -1.613   0.096   1.125  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.599  -0.848   0.865  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -0.725  -1.853  -0.114  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1        0.334  -2.778  -0.339  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1        0.192  -3.599  -1.556  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1       -1.219  -4.156  -1.671  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1       -2.195  -3.005  -1.833  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.952  -1.942  -0.796  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.970  -1.003  -0.550  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.714  -2.454  -0.151  0.00  0.00    +0.145 A 
ATOM     12  N   LIG    1        2.146  -1.197  -0.398  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        3.472  -0.994  -0.181  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1        4.304  -2.025   0.245  0.00  0.00    +0.157 A 
ATOM     15  N   LIG    1        5.568  -1.522   0.369  0.00  0.00    -0.344 N 
ATOM     16  H   LIG    1        6.363  -2.068   0.670  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        5.571  -0.188   0.038  0.00  0.00    +0.095 A 
ATOM     18  N   LIG    1        3.938  -3.296   0.499  0.00  0.00    -0.233 NA
ATOM     19  C   LIG    1        4.279   0.170  -0.306  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.602  -3.452   0.290  0.00  0.00    +0.157 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.820   1.492  -0.713  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        4.559   2.643  -0.866  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        3.675   3.607  -1.254  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        3.968   4.991  -1.536  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        2.409   3.165  -1.369  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        2.500   1.871  -1.035  0.00  0.00    +0.143 A 
ENDBRANCH  19  21
ENDBRANCH   5  11
BRANCH   1  31
ATOM     27  C   LIG    1       -6.555   2.549   2.425  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1       -5.567   2.041   1.506  0.00  0.00    -0.274 N 
ATOM     29  N   LIG    1       -5.528   2.512   0.245  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -4.520   1.835  -0.312  0.00  0.00    +0.142 A 
ATOM     31  C   LIG    1       -3.904   0.944   0.593  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -4.621   1.090   1.760  0.00  0.00    +0.116 A 
ENDBRANCH   1  31
BRANCH   2  33
ATOM     33  C   LIG    1       -1.371   1.163   2.164  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1       -2.065   0.939   3.317  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -0.065   1.256   2.552  0.00  0.00    -0.204 F 
ENDBRANCH   2  33
TORSDOF 4