REMARK  Name = BDB042663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.645   0.683   1.110  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.809   0.587   0.922  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -1.247  -0.604   0.153  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.787  -0.779   0.332  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -3.554   0.427  -0.086  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1       -2.893   1.722   0.233  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -0.914  -0.273  -1.308  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -0.973   1.252  -1.368  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -1.345   1.669   0.060  0.00  0.00    +0.074 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.954   0.369  -0.005  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -5.775   1.501   0.136  0.00  0.00    +0.137 A 
ATOM     12  N   LIG    1       -7.133   1.512   0.199  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -7.738   0.319   0.101  0.00  0.00    +0.213 A 
ATOM     14  F   LIG    1       -9.077   0.291   0.157  0.00  0.00    -0.184 F 
ATOM     15  C   LIG    1       -7.059  -0.870  -0.061  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -5.663  -0.836  -0.119  0.00  0.00    +0.029 A 
ENDBRANCH   5  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.123  -0.279   2.207  0.00  0.00    +0.021 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.615  -0.114   2.531  0.00  0.00    +0.054 C 
BRANCH  18  27
ATOM     19  O   LIG    1        4.351  -3.390  -0.421  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        4.354  -2.211  -0.086  0.00  0.00    +0.258 A 
ATOM     21  C   LIG    1        5.188  -1.211  -0.779  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        5.144   0.110  -0.350  0.00  0.00    +0.078 A 
ATOM     23  N   LIG    1        5.868   1.102  -0.922  0.00  0.00    -0.255 NA
ATOM     24  C   LIG    1        6.665   0.749  -1.958  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.771  -0.545  -2.450  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.285   0.493   0.766  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        3.528  -0.434   1.375  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.016  -1.547  -1.848  0.00  0.00    +0.017 A 
ATOM     29  N   LIG    1        3.577  -1.745   0.954  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1        3.019  -2.450   1.423  0.00  0.00    +0.169 HD
ENDBRANCH  18  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5