REMARK  Name = BDB050752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.306  -0.457   0.149  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -0.386  -1.700  -0.468  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        0.460  -2.689  -0.144  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -1.361  -1.923  -1.431  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -1.431  -3.110  -2.050  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -2.277  -0.927  -1.768  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.238   0.317  -1.120  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -1.235   0.547  -0.166  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        0.250   0.218   2.282  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.685  -0.184   1.204  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1        2.038  -0.344   0.939  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        2.987  -0.132   2.037  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        4.347  -0.818   1.815  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        4.920  -0.465   0.515  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1        4.036   0.039  -0.532  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.624  -0.560  -0.393  0.00  0.00    +0.127 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.267  -0.201   0.421  0.00  0.00    +0.218 A 
ATOM     18  N   LIG    1        6.731   0.408  -0.684  0.00  0.00    -0.223 NA
ATOM     19  C   LIG    1        8.055   0.641  -0.766  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1        8.947   0.291   0.213  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        8.393  -0.325   1.304  0.00  0.00    +0.116 A 
ATOM     22  N   LIG    1        7.076  -0.576   1.427  0.00  0.00    -0.223 NA
ENDBRANCH  14  17
ENDBRANCH   1  10
BRANCH   7  23
ATOM     23  C   LIG    1       -3.232   1.405  -1.460  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.682   0.938  -1.406  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -5.370   0.790  -0.097  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -6.691   0.346  -0.123  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.411   0.175   1.066  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.803   0.450   2.289  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.482   0.895   2.322  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.328   0.056  -1.417  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -8.488  -0.332  -1.488  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.547   0.246  -2.531  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -6.971   0.051  -3.433  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -4.765   1.067   1.134  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -5.257   0.674  -2.543  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 4