REMARK  Name = BDB055631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.310  -0.122  -0.086  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1       -4.149  -0.829   0.240  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.946  -0.251  -0.115  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.570  -0.744   0.079  0.00  0.00    +0.210 C 
ATOM      5  C   LIG    1       -0.671   0.334  -0.502  0.00  0.00    +0.092 C 
ATOM      6  N   LIG    1       -1.525   1.292  -1.042  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -1.165   2.198  -1.328  0.00  0.00    +0.152 HD
ATOM      8  C   LIG    1        0.670   0.367  -0.474  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1        1.735  -0.517   0.028  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        1.756  -1.743   0.668  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.989  -2.310   1.006  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.191  -1.654   0.703  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        4.193  -0.409   0.054  0.00  0.00    +0.077 A 
ATOM     14  C   LIG    1        2.952   0.126  -0.269  0.00  0.00    +0.053 A 
ATOM     15  N   LIG    1        2.707   1.340  -0.910  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        3.411   2.001  -1.214  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        1.356   1.572  -1.068  0.00  0.00    +0.251 C 
ATOM     18  O   LIG    1        0.835   2.554  -1.566  0.00  0.00    -0.270 OA
ATOM     19  O   LIG    1       -1.290  -1.797   0.610  0.00  0.00    -0.285 OA
ATOM     20  C   LIG    1       -2.845   0.985  -0.759  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -3.986   1.677  -1.103  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -5.226   1.121  -0.754  0.00  0.00    +0.021 A 
ENDROOT
BRANCH  13  23
ATOM     23  C   LIG    1        5.492   0.265  -0.271  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1        6.213  -0.420  -1.201  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.353   1.528  -0.768  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.305   0.385   0.816  0.00  0.00    -0.166 F 
ENDBRANCH  13  23
BRANCH   1  28
ATOM     27  N   LIG    1       -7.637  -1.094   0.525  0.00  0.00    -0.191 NA
ATOM     28  C   LIG    1       -6.595  -0.662   0.253  0.00  0.00    +0.099 C 
ENDBRANCH   1  28
TORSDOF 2