REMARK  Name = BDB050467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.502   1.704  -0.120  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -0.824   3.060  -0.015  0.00  0.00    +0.235 A 
ATOM      3  F   LIG    1       -0.043   3.840   0.751  0.00  0.00    -0.182 F 
ATOM      4  N   LIG    1       -1.866   3.656  -0.631  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -2.645   2.858  -1.394  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1       -2.432   1.492  -1.571  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -1.323   0.922  -0.928  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        0.510  -1.058   0.172  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.060  -0.088   0.684  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1        0.626   1.223   0.587  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1        1.123   1.927   1.126  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        2.336  -0.212   1.505  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1        3.520   0.363   0.728  0.00  0.00    +0.097 C 
ATOM     14  N   LIG    1        4.639  -0.504   1.106  0.00  0.00    -0.301 NA
ATOM     15  C   LIG    1        4.067  -1.854   1.101  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        2.745  -1.653   1.826  0.00  0.00    +0.029 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.776  -0.351   0.198  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.968  -1.094   0.726  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        7.723  -0.584   1.928  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        8.356  -0.523   0.567  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  21
ATOM     21  C   LIG    1       -3.345   0.663  -2.442  0.00  0.00    +0.163 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.714   0.573  -1.932  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.070  -0.356  -0.905  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.383  -0.377  -0.417  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -6.779  -1.262   0.596  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.857  -2.151   1.137  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.549  -2.153   0.664  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.372   0.551  -0.985  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -8.530   0.592  -0.586  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -6.923   1.365  -1.985  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -7.590   2.016  -2.372  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -4.159  -1.266  -0.349  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -5.650   1.446  -2.468  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -5.389   2.282  -3.333  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6