REMARK  Name = BDB012711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.453   0.367  -0.068  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.253   1.380  -1.055  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.999   1.114  -1.610  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.553   1.896  -2.636  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.802   2.981  -3.096  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.444   3.262  -2.549  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -1.138   4.311  -3.011  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.452   0.003  -0.938  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -0.992   2.481  -1.533  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.588  -0.464  -0.019  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.709  -0.689  -1.157  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        2.534  -1.927  -2.041  0.00  0.00    +0.107 C 
ATOM     13  N   LIG    1        3.437  -2.950  -1.484  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1        4.393  -2.758  -1.786  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        3.346  -2.725  -0.034  0.00  0.00    +0.083 C 
ATOM     16  C   LIG    1        3.396  -1.213   0.110  0.00  0.00    +0.043 C 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.581   0.313   0.681  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1       -2.287   1.034   0.505  0.00  0.00    +0.154 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.238  -0.419   2.356  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1       -1.995  -0.575   1.703  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1       -1.225  -1.652   2.143  0.00  0.00    +0.134 A 
ATOM     22  N   LIG    1       -1.583  -2.525   3.124  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1       -2.775  -2.331   3.712  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -3.631  -1.305   3.369  0.00  0.00    +0.036 A 
BRANCH  19  26
ATOM     25  O   LIG    1       -3.914   1.526   1.107  0.00  0.00    -0.245 OA
ATOM     26  C   LIG    1       -4.144   0.694   1.968  0.00  0.00    +0.339 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -5.293   0.719   2.667  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -5.782   1.490   2.309  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5