REMARK  Name = BDB042730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.322  -0.858  -0.467  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -0.623  -0.189   0.528  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -1.956   0.191   0.031  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -2.864   0.734   0.934  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.437   0.935   2.325  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -1.158   0.534   2.630  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -0.848   0.654   3.590  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -3.192   1.431   3.154  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -4.155   1.061   0.521  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -4.516   0.814  -0.796  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -5.760   1.098  -1.202  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.610   0.267  -1.706  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.298  -0.016  -1.313  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -1.412  -0.625  -2.221  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1       -1.633  -0.393  -3.189  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -0.266  -0.036   1.770  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -0.002  -0.392  -1.894  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1        4.505  -0.284   0.518  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        3.707   0.815   0.202  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        2.366   0.621  -0.118  0.00  0.00    +0.128 A 
ATOM     21  F   LIG    1        1.620   1.693  -0.421  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        1.791  -0.656  -0.134  0.00  0.00    -0.002 A 
ATOM     23  C   LIG    1        2.603  -1.754   0.187  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        3.951  -1.569   0.509  0.00  0.00    +0.019 A 
BRANCH  18  26
ATOM     25  N   LIG    1        7.008   0.051   1.111  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        5.887  -0.098   0.849  0.00  0.00    +0.099 C 
ENDBRANCH  18  26
ENDBRANCH   1  22
TORSDOF 2