REMARK  Name = BDB027854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.105  -0.654  -0.174  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.304  -1.797  -0.899  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.680  -1.973  -1.116  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        2.045  -3.106  -1.829  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.201  -4.047  -2.329  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.108  -3.845  -2.103  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.612  -1.108  -0.666  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.216  -0.010   0.020  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.598  -2.755  -1.406  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.873   0.237   0.285  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -3.534   0.910  -0.284  0.00  0.00    +0.176 C 
ATOM     12  N   LIG    1       -3.908   0.771   1.167  0.00  0.00    -0.303 NA
ATOM     13  H   LIG    1       -4.927   0.756   1.246  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -3.350  -0.483   1.707  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1       -1.820  -0.595   1.516  0.00  0.00    +0.120 C 
ATOM     16  N   LIG    1       -1.484  -0.444   0.080  0.00  0.00    -0.326 N 
ATOM     17  C   LIG    1       -2.002   0.829  -0.486  0.00  0.00    +0.132 C 
BRANCH  11  19
ATOM     18  F   LIG    1       -3.767   2.190  -2.285  0.00  0.00    -0.169 F 
ATOM     19  C   LIG    1       -4.031   2.201  -0.958  0.00  0.00    +0.406 C 
ATOM     20  F   LIG    1       -3.454   3.305  -0.436  0.00  0.00    -0.169 F 
ATOM     21  F   LIG    1       -5.372   2.329  -0.818  0.00  0.00    -0.169 F 
ENDBRANCH  11  19
ENDBRANCH   1  16
BRANCH   8  22
ATOM     22  C   LIG    1        3.303   0.883   0.472  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.131   2.268   0.608  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        4.195   3.047   1.041  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        5.412   2.554   1.346  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.575   1.224   1.199  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.573   0.368   0.773  0.00  0.00    +0.030 A 
ENDBRANCH   8  22
TORSDOF 3