REMARK  Name = BDB041355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.283  -1.814   0.244  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.172  -0.494  -0.258  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.646  -0.462  -0.726  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.545  -0.806   0.391  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        2.012  -1.751   1.387  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.845  -2.585   0.806  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.892  -0.464   0.367  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.595  -0.033  -0.780  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        3.954   0.022  -1.961  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        5.903   0.319  -0.833  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.583   0.246   0.336  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        6.014  -0.153   1.534  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.664  -0.506   1.539  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.029   0.637   0.288  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.482   0.982  -0.968  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.779   1.026  -1.702  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.802   1.502  -1.195  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.722   0.647   1.299  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.375  -1.666   1.222  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.640  -1.093   0.627  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.242   0.038   1.179  0.00  0.00    +0.132 A 
ATOM     22  F   LIG    1       -2.676   0.629   2.243  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.425   0.583   0.656  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.001   1.807   1.313  0.00  0.00    +0.118 C 
ATOM     25  C   LIG    1       -6.272   2.355   0.711  0.00  0.00    +0.170 C 
ATOM     26  C   LIG    1       -6.873   1.681  -0.457  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -6.278   0.550  -1.006  0.00  0.00    +0.082 A 
ATOM     28  N   LIG    1       -6.815  -0.088  -2.082  0.00  0.00    -0.254 NA
ATOM     29  C   LIG    1       -7.954   0.410  -2.613  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -8.603   1.530  -2.124  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -8.051   2.176  -1.026  0.00  0.00    +0.015 A 
ATOM     32  O   LIG    1       -6.818   3.354   1.177  0.00  0.00    -0.292 OA
ATOM     33  C   LIG    1       -5.040  -0.018  -0.454  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -4.434  -1.163  -1.005  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.255  -1.696  -0.474  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4