REMARK  Name = BDB009439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.065  -0.025  -0.500  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.960  -0.685  -1.721  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.949  -1.475  -2.163  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.169  -0.514  -2.516  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.207   0.313  -2.080  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.124   0.972  -0.844  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.018   0.786  -0.048  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.887  -1.618   0.961  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -4.708  -0.096   0.793  0.00  0.00    +0.108 C 
ATOM     10  N   LIG    1       -3.495   0.195  -0.048  0.00  0.00    -0.282 N 
ATOM     11  C   LIG    1       -2.234  -0.241   0.367  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -2.010  -0.803   1.436  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.700   1.083  -1.198  0.00  0.00    +0.128 C 
ATOM     14  C   LIG    1       -4.907   0.624  -2.006  0.00  0.00    +0.123 C 
ATOM     15  N   LIG    1       -6.092   0.643  -1.188  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1       -6.998   0.878  -1.575  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -6.063   0.392   0.159  0.00  0.00    +0.236 C 
ATOM     18  O   LIG    1       -7.118   0.470   0.789  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.601   0.590   2.168  0.00  0.00    +0.041 C 
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.257   1.844  -0.352  0.00  0.00    +0.094 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.077   1.169   0.739  0.00  0.00    +0.087 A 
ATOM     22  C   LIG    1        4.186   0.226   0.353  0.00  0.00    +0.059 A 
ATOM     23  N   LIG    1        4.575   0.045  -0.973  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        4.432   0.859  -1.564  0.00  0.00    +0.146 HD
ATOM     25  C   LIG    1        5.801  -0.685  -1.285  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1        5.931  -1.885  -0.352  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1        5.859  -1.449   1.117  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        4.773  -0.438   1.361  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        4.385  -0.172   2.764  0.00  0.00    +0.270 A 
ATOM     30  O   LIG    1        4.921  -0.753   3.702  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        3.419   0.780   2.950  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        3.126   0.961   3.905  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        2.739   1.431   1.968  0.00  0.00    -0.174 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3