REMARK  Name = BDB065045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.196   0.578  -0.632  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.012  -0.063  -0.287  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.240   0.323  -0.846  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        1.261   1.365  -1.780  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.077   1.997  -2.154  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.139   1.604  -1.591  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  10
ATOM      7  O   LIG    1       -1.741  -0.444   3.430  0.00  0.00    -0.226 OA
ATOM      8  C   LIG    1       -2.174   0.094   2.418  0.00  0.00    +0.401 C 
ATOM      9  O   LIG    1       -2.272  -0.568   1.241  0.00  0.00    -0.439 OA
ATOM     10  C   LIG    1       -2.527   0.110  -0.016  0.00  0.00    +0.144 C 
ATOM     11  C   LIG    1       -3.556   1.224   0.233  0.00  0.00    +0.072 C 
ATOM     12  C   LIG    1       -3.026   2.140   1.310  0.00  0.00    +0.112 C 
ATOM     13  N   LIG    1       -2.616   1.382   2.454  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -2.457   1.843   3.341  0.00  0.00    +0.152 HD
BRANCH  10  15
ATOM     15  C   LIG    1       -3.134  -0.896  -0.996  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -4.080  -1.984  -0.538  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -2.704  -2.346  -1.024  0.00  0.00    +0.008 C 
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1        2.481  -0.364  -0.450  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        2.644  -1.850  -0.623  0.00  0.00    +0.256 A 
ATOM     20  O   LIG    1        1.784  -2.564  -1.127  0.00  0.00    -0.267 OA
ATOM     21  N   LIG    1        3.839  -2.376  -0.184  0.00  0.00    -0.328 N 
ATOM     22  H   LIG    1        3.936  -3.378  -0.303  0.00  0.00    +0.168 HD
ATOM     23  C   LIG    1        4.852  -1.643   0.376  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        4.730  -0.316   0.538  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1        3.494   0.327   0.110  0.00  0.00    +0.027 A 
BRANCH  24  26
ATOM     26  C   LIG    1        5.801   0.546   1.141  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1        5.367   1.186   2.256  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        6.218   1.506   0.275  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.904  -0.162   1.499  0.00  0.00    -0.166 F 
ENDBRANCH  24  26
ENDBRANCH   3  18
TORSDOF 4