REMARK  Name = BDB027788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.571   0.472   0.320  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.381   1.718   0.951  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.950   2.080   1.179  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.154   3.298   1.810  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.186   4.162   2.213  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.082   3.796   1.963  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.988   1.317   0.816  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.698   0.167   0.195  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1       -1.414   2.604   1.345  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.465  -0.284  -0.068  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.799  -0.671  -0.227  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        4.141  -0.402  -0.043  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1        4.819  -1.450  -0.591  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        5.823  -1.592  -0.640  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        4.018  -2.390  -1.121  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        2.789  -1.912  -0.899  0.00  0.00    +0.145 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.903   0.035   0.077  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1       -2.425   0.098   0.952  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.321  -1.160  -0.754  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -1.548  -2.465  -0.666  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -1.484  -1.642  -1.924  0.00  0.00    +0.037 C 
BRANCH  19  23
ATOM     22  F   LIG    1       -4.220  -2.431  -1.517  0.00  0.00    -0.168 F 
ATOM     23  C   LIG    1       -3.845  -1.274  -0.924  0.00  0.00    +0.411 C 
ATOM     24  F   LIG    1       -4.326  -0.248  -1.665  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -4.445  -1.216   0.292  0.00  0.00    -0.168 F 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4