REMARK  Name = BDB029677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.553   0.546  -0.280  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -4.803   0.287   0.864  0.00  0.00    +0.179 A 
ATOM      3  F   LIG    1       -5.345   0.445   2.085  0.00  0.00    -0.201 F 
ATOM      4  C   LIG    1       -3.466  -0.128   0.771  0.00  0.00    +0.177 A 
ATOM      5  O   LIG    1       -2.836  -0.345   1.980  0.00  0.00    -0.485 OA
ATOM      6  C   LIG    1       -1.413  -0.431   1.854  0.00  0.00    +0.253 C 
ATOM      7  C   LIG    1       -1.021  -1.354   0.701  0.00  0.00    +0.125 C 
ATOM      8  N   LIG    1       -1.502  -0.759  -0.572  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -1.057  -1.501  -1.769  0.00  0.00    +0.121 C 
ATOM     10  C   LIG    1        0.475  -1.738  -1.737  0.00  0.00    +0.103 C 
ATOM     11  N   LIG    1        0.935  -2.368  -0.486  0.00  0.00    -0.295 NA
ATOM     12  C   LIG    1        0.515  -1.547   0.666  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1       -2.842  -0.334  -0.483  0.00  0.00    +0.075 A 
ATOM     14  C   LIG    1       -3.607  -0.039  -1.622  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.940   0.387  -1.526  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1       -8.918   1.610   1.131  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1       -7.578   1.102   0.991  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1       -7.021   0.973   1.829  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -6.974   0.994  -0.242  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1       -7.558   1.251  -1.291  0.00  0.00    -0.270 OA
ENDBRANCH   1  19
BRANCH  11  21
ATOM     21  C   LIG    1        2.356  -2.730  -0.484  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.355  -1.605  -0.588  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1        3.851  -0.955   0.549  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.771   0.075   0.392  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1        5.175   0.425  -0.894  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1        6.139   1.506  -1.061  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.635   2.159   0.005  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        6.200   1.779   1.388  0.00  0.00    +0.252 A 
ATOM     29  O   LIG    1        6.634   2.352   2.382  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        7.624   3.275  -0.099  0.00  0.00    +0.049 C 
ATOM     31  N   LIG    1        4.727  -0.184  -2.012  0.00  0.00    -0.253 NA
ATOM     32  N   LIG    1        5.291   0.757   1.498  0.00  0.00    -0.321 N 
ATOM     33  H   LIG    1        5.011   0.514   2.438  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1        3.832  -1.183  -1.831  0.00  0.00    +0.116 A 
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 3