REMARK  Name = BDB027747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.717   0.774   0.123  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.499   2.072  -0.380  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.784   2.318  -0.873  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.016   3.594  -1.364  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.115   4.610  -1.413  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.116   4.336  -0.949  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.753   1.393  -0.885  0.00  0.00    -0.225 NA
ATOM      8  C   LIG    1        1.441   0.180  -0.410  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1       -1.469   3.103  -0.431  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.246  -0.159   0.091  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.473  -0.844  -0.437  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1        3.257  -1.062  -1.573  0.00  0.00    +0.155 A 
ATOM     13  F   LIG    1        3.074  -0.349  -2.694  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        4.230  -2.052  -1.561  0.00  0.00    +0.150 A 
ATOM     15  N   LIG    1        4.484  -2.846  -0.496  0.00  0.00    -0.258 NA
ATOM     16  C   LIG    1        3.720  -2.627   0.599  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        2.728  -1.658   0.668  0.00  0.00    +0.155 A 
ATOM     18  F   LIG    1        2.053  -1.507   1.817  0.00  0.00    -0.203 F 
ENDBRANCH   8  11
BRANCH   1  19
ATOM     19  N   LIG    1       -1.999   0.469   0.666  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1       -2.199   1.170   1.377  0.00  0.00    +0.148 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -3.973  -0.860   1.387  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -2.498  -0.881   1.037  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -2.002  -2.148   0.384  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -1.641  -1.850   1.815  0.00  0.00    +0.027 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 3