REMARK  Name = BDB001074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.957  -1.788   1.381  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        2.430  -2.967   1.944  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.880  -3.471   3.058  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        3.466  -3.664   1.331  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        4.039  -3.169   0.156  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.590  -1.964  -0.409  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        2.529  -1.282   0.207  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.144  -0.460   3.091  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.875  -1.051   2.049  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -0.377  -1.027   1.447  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1       -1.442  -0.253   2.084  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -2.483   0.250   1.076  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1       -3.035  -0.817   0.228  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1       -4.141  -0.679  -0.603  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -4.505  -1.594  -1.346  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -2.272  -2.069   0.181  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1       -0.757  -1.838   0.281  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -4.933   0.629  -0.531  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -5.636   0.915  -1.869  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -6.473   2.191  -1.798  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -7.482   2.137  -0.655  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -6.811   1.819   0.679  0.00  0.00    +0.001 C 
ATOM     23  C   LIG    1       -5.968   0.548   0.600  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1        4.213  -1.453  -1.691  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.461   0.050  -1.702  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        5.611   0.622  -0.954  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        5.776   2.005  -1.004  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        6.833   2.624  -0.326  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        7.730   1.851   0.411  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.570   0.467   0.467  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.822   2.815  -1.780  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1        4.932   4.034  -1.858  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        3.812   2.126  -2.405  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        3.147   2.671  -2.947  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        6.515  -0.150  -0.214  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1        3.622   0.781  -2.378  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4