REMARK  Name = BDB050625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.081   1.334   0.335  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.721   0.500  -0.696  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.738  -0.255  -1.367  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.069  -1.134  -2.387  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.415  -1.254  -2.738  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.388  -0.502  -2.068  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -5.673  -0.635  -2.425  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.459   0.125  -0.756  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.737  -0.371  -1.111  0.00  0.00    +0.018 C 
ATOM     10  C   LIG    1       -4.057   0.382  -1.043  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.756   1.100   0.280  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.043  -0.010  -0.522  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.861  -1.010   0.034  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        4.111  -0.616   0.568  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.935  -1.597   1.136  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.523  -2.922   1.164  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.294  -3.224   0.617  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.519   0.728   0.526  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.705   1.696  -0.050  0.00  0.00    +0.001 A 
ATOM     20  N   LIG    1        2.474  -2.308   0.059  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        2.473   1.328  -0.579  0.00  0.00    +0.010 A 
ENDBRANCH   9  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.808   2.274   1.232  0.00  0.00    +0.156 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -3.761   0.373   2.485  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -3.595   1.568   2.317  0.00  0.00    +0.309 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -4.172   2.450   3.164  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.643   1.877   3.805  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 4