REMARK  Name = BDB062441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.070  -1.695  -1.512  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.129  -0.971  -0.930  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -2.397  -0.930  -1.525  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.617  -1.669  -2.699  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.579  -2.391  -3.287  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.315  -2.398  -2.700  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.196  -0.548   0.020  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        1.940  -0.521  -0.598  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.260  -1.716  -0.881  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        1.883  -2.931  -0.543  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.148  -2.957   0.053  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.810  -1.764   0.331  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1        3.796   0.388   2.773  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1        4.325   1.016   1.570  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        3.893   0.731   0.276  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1        4.074   1.478  -0.684  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        5.109   2.222   1.775  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1       -3.489  -0.211  -0.950  0.00  0.00    -0.227 N 
ATOM     19  C   LIG    1       -3.530   0.811  -0.021  0.00  0.00    +0.161 A 
ATOM     20  C   LIG    1       -4.848   0.907   0.416  0.00  0.00    +0.108 A 
ATOM     21  C   LIG    1       -5.548   0.029  -0.422  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1       -4.758  -0.568  -1.308  0.00  0.00    -0.173 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.377   1.653   0.339  0.00  0.00    +0.435 C 
ATOM     24  F   LIG    1       -1.486   1.780  -0.676  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1       -1.702   1.164   1.406  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1       -2.755   2.920   0.644  0.00  0.00    -0.164 F 
ENDBRANCH  19  23
BRANCH  20  27
ATOM     27  C   LIG    1       -5.329   1.748   1.494  0.00  0.00    +0.340 C 
ATOM     28  O   LIG    1       -4.624   2.095   2.428  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.630   2.115   1.402  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -7.056   1.885   0.557  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH   3  18
TORSDOF 6