REMARK  Name = BDB027839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.074   0.819  -0.130  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        0.364   2.154  -0.126  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.746   2.330  -0.179  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.192   3.643  -0.182  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.411   4.755  -0.129  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.085   4.548  -0.057  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.613   1.307  -0.221  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.102   0.066  -0.198  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.480   3.287  -0.051  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.789  -0.214  -0.153  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -3.314  -0.900   0.693  0.00  0.00    +0.176 C 
ATOM     12  N   LIG    1       -4.104  -0.262  -0.428  0.00  0.00    -0.303 NA
ATOM     13  H   LIG    1       -4.234   0.717  -0.160  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -3.292  -0.252  -1.660  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1       -1.985   0.573  -1.524  0.00  0.00    +0.121 C 
ATOM     16  N   LIG    1       -1.463   0.532  -0.131  0.00  0.00    -0.312 N 
ATOM     17  C   LIG    1       -1.775  -0.753   0.540  0.00  0.00    +0.134 C 
BRANCH  11  19
ATOM     18  F   LIG    1       -3.256  -3.173  -0.081  0.00  0.00    -0.169 F 
ATOM     19  C   LIG    1       -3.613  -2.389   0.962  0.00  0.00    +0.406 C 
ATOM     20  F   LIG    1       -4.925  -2.602   1.210  0.00  0.00    -0.169 F 
ATOM     21  F   LIG    1       -2.927  -2.825   2.046  0.00  0.00    -0.169 F 
ENDBRANCH  11  19
ENDBRANCH   1  16
BRANCH   8  22
ATOM     22  C   LIG    1        3.044  -1.068  -0.231  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        2.595  -2.397  -0.220  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        3.518  -3.431  -0.253  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        4.851  -3.243  -0.296  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.280  -1.965  -0.306  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.433  -0.869  -0.275  0.00  0.00    +0.031 A 
ENDBRANCH   8  22
TORSDOF 3