REMARK  Name = BDB048322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.484   1.950  -0.677  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.723   0.623  -0.002  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.603  -0.125   0.342  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.241   0.452   0.339  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.211  -0.618   0.385  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.512  -1.949   0.563  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1       -0.335  -2.619   0.550  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -0.166  -3.616   0.644  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1        0.720  -1.806   0.393  0.00  0.00    -0.158 NA
ATOM     10  C   LIG    1       -2.872  -2.509   0.715  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.207  -0.574   0.287  0.00  0.00    +0.150 A 
ATOM     12  C   LIG    1       -3.820  -1.363   1.124  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -5.874   0.240   0.210  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        0.881   0.591   0.111  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.335   1.438   0.037  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.264   0.869   0.009  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        3.265  -0.104   0.110  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.630   0.223  -0.001  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1        4.995   1.555  -0.230  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.016   2.539  -0.334  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.667   2.197  -0.215  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1        5.670  -0.864   0.097  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1        5.443  -1.732   1.122  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        6.931  -0.384   0.297  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.740  -1.624  -1.031  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH  11  14
TORSDOF 3