REMARK  Name = BDB055632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.259  -0.471  -0.426  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -3.191   0.316   0.024  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.926  -0.231  -0.078  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.622   0.336   0.311  0.00  0.00    +0.210 C 
ATOM      5  C   LIG    1        0.403  -0.721  -0.061  0.00  0.00    +0.092 C 
ATOM      6  N   LIG    1       -0.325  -1.807  -0.537  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.143  -2.570  -1.018  0.00  0.00    +0.152 HD
ATOM      8  C   LIG    1        1.739  -0.614   0.024  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1        2.686   0.413   0.487  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        2.554   1.681   1.024  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        3.708   2.396   1.364  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.982   1.843   1.169  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        5.138   0.558   0.624  0.00  0.00    +0.077 A 
ATOM     14  C   LIG    1        3.973  -0.126   0.299  0.00  0.00    +0.053 A 
ATOM     15  N   LIG    1        3.881  -1.404  -0.249  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        4.661  -2.000  -0.497  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.569  -1.778  -0.458  0.00  0.00    +0.251 C 
ATOM     18  O   LIG    1        2.175  -2.822  -0.946  0.00  0.00    -0.270 OA
ATOM     19  O   LIG    1       -0.473   1.430   0.811  0.00  0.00    -0.285 OA
ATOM     20  C   LIG    1       -1.673  -1.498  -0.610  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -2.717  -2.288  -1.034  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -4.016  -1.765  -0.949  0.00  0.00    +0.017 A 
ENDROOT
BRANCH  13  23
ATOM     23  C   LIG    1        6.511  -0.015   0.438  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1        7.332   0.813  -0.265  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        7.141  -0.246   1.623  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.530  -1.205  -0.228  0.00  0.00    -0.166 F 
ENDBRANCH  13  23
BRANCH   1  27
ATOM     27  C   LIG    1       -5.670   0.003  -0.370  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -6.618  -0.663  -0.752  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1       -7.058   1.779   0.239  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1       -5.733   1.252   0.152  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 3