REMARK  Name = BDB014764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.454   4.713   1.736  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.114   4.064   1.506  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.106   2.800   0.928  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.772   2.241   0.635  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.856   0.782   0.363  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.840  -0.192   0.163  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.385  -1.391  -0.072  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.715  -1.198  -0.008  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.045   0.098   0.231  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.389   0.703   0.363  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.260   2.232   0.195  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.080   4.646   1.833  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.478   0.126   0.214  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.715   1.084   0.440  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.643  -0.657   0.037  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.899  -0.031   0.162  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.102  -0.738  -0.010  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.043  -2.102  -0.310  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.811  -2.740  -0.437  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.625  -2.021  -0.266  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.376  -0.054   0.133  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.533  -0.373  -0.549  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.481   0.518  -0.136  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.854   0.590  -0.572  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.027   1.404   0.768  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.748   1.054   0.930  0.00  0.00    +0.142 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.607  -2.332  -0.207  0.00  0.00    +0.153 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.834  -2.595  -1.660  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -4.276  -3.946  -2.076  0.00  0.00    +0.254 C 
ATOM     30  F   LIG    1       -4.472  -4.935  -1.143  0.00  0.00    -0.205 F 
ATOM     31  F   LIG    1       -5.249  -4.083  -3.037  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -2.909  -3.509  -2.442  0.00  0.00    +0.087 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5