REMARK  Name = BDB049677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.872  -0.573  -0.407  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.407   0.689  -0.105  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.778   0.758  -0.252  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.258  -0.125  -0.153  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.712   1.626   0.272  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.590   1.908  -0.186  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -3.095   3.211  -0.244  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -3.978   4.287  -0.192  0.00  0.00    +0.125 A 
ATOM      9  F   LIG    1       -3.498   5.537  -0.251  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -5.350   4.092  -0.089  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -5.853   2.796  -0.039  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -4.976   1.708  -0.092  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        3.332  -0.294   0.592  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        2.956  -0.507  -0.813  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        1.504  -0.106  -1.083  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.556  -0.850  -0.141  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.978  -0.629   1.317  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.443  -1.027   1.507  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.736  -0.652   0.855  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.771   0.247   0.161  0.00  0.00    +0.015 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.708   2.569  -0.123  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        5.618   1.726   0.521  0.00  0.00    -0.002 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.532  -1.462  -1.371  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.566  -2.380  -0.757  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.381  -2.965   0.504  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.349  -3.816   1.042  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.506  -4.103   0.321  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.695  -3.543  -0.940  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.729  -2.691  -1.478  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7