REMARK  Name = BDB042609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.285   0.363   1.647  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.646  -0.973   1.293  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.657  -0.937   0.819  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.338  -2.205   0.531  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.851  -2.127   0.765  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -3.491  -1.022   0.038  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -4.829  -1.159  -0.312  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.482  -2.144   0.034  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.620   0.091  -0.354  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -1.435   0.288   0.604  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1        1.261  -2.032   1.426  0.00  0.00    -0.276 OA
BRANCH   7  12
ATOM     12  C   LIG    1       -5.474  -0.023  -1.112  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -6.800  -0.448  -1.760  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -7.870   0.008  -0.781  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -7.346   1.352  -0.313  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -5.838   1.155  -0.190  0.00  0.00    +0.013 C 
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        2.686   0.222   2.252  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1        6.809   2.954   0.228  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.732   1.597  -0.417  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        5.737   0.654  -0.079  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1        5.732  -0.599  -0.727  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.691  -1.597  -0.378  0.00  0.00    +0.257 A 
ATOM     23  N   LIG    1        3.783  -1.218   0.583  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1        3.069  -1.913   0.816  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.767   0.001   1.218  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1        4.649  -2.694  -0.924  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        6.689  -0.921  -1.693  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        7.657   0.015  -2.014  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        8.580  -0.279  -2.938  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.698   0.924   0.927  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        7.688   1.259  -1.391  0.00  0.00    +0.042 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4