REMARK  Name = BDB056614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.678  -1.640  -0.963  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.595  -1.346  -0.463  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -4.221   0.074  -0.274  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.913   0.542  -0.073  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -2.628   1.898   0.068  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.662   2.845   0.019  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.971   2.406  -0.188  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.287   2.107   0.242  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1       -0.716   0.921   0.167  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -1.681  -0.061   0.041  0.00  0.00    -0.322 N 
ATOM     11  C   LIG    1       -1.449  -1.491   0.095  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -2.584  -2.251   0.765  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -5.241   1.046  -0.337  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -3.755  -2.359  -0.079  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -4.188  -3.270  -0.186  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        0.728   0.694   0.249  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        1.412  -0.037  -0.731  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.795  -0.241  -0.637  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.510   0.291   0.435  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.833   1.035   1.404  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        1.455   1.243   1.309  0.00  0.00    +0.015 A 
BRANCH  19  22
ATOM     22  O   LIG    1        4.854   0.164   0.650  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.614  -0.520  -0.349  0.00  0.00    +0.262 C 
BRANCH  23  24
ATOM     24  C   LIG    1        7.079  -0.510   0.062  0.00  0.00    +0.254 C 
ATOM     25  F   LIG    1        7.607   0.720  -0.191  0.00  0.00    -0.246 F 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   9  16
TORSDOF 4