REMARK  Name = BDB039301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.366   0.384  -0.007  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -2.121   0.754   1.393  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -0.841   1.630   1.561  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1       -1.099   3.058   1.062  0.00  0.00    +0.026 C 
ATOM      5  N   LIG    1        0.382   1.143   0.873  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        0.096  -0.020   0.010  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1       -1.176   0.163  -0.847  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -6.145  -0.529  -1.530  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1       -5.138  -0.289  -2.397  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -3.929   0.009  -1.854  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1       -3.628   0.078  -0.486  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.715  -0.177   0.359  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.981  -0.482  -0.153  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1       -9.423  -2.349  -2.056  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.197  -1.856  -1.481  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.695  -2.467  -0.850  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.479  -0.859  -2.128  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.889  -0.288  -3.133  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1        1.467   0.864   1.827  0.00  0.00    +0.123 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.810   0.670   1.164  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.553  -0.494   1.385  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        3.062  -1.459   2.179  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.803  -0.674   0.790  0.00  0.00    +0.112 A 
ATOM     24  N   LIG    1        5.521  -1.851   1.006  0.00  0.00    -0.277 N 
ATOM     25  H   LIG    1        5.116  -2.605   1.547  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        6.787  -2.029   0.520  0.00  0.00    +0.261 C 
ATOM     27  C   LIG    1        7.408  -0.837  -0.151  0.00  0.00    +0.186 C 
ATOM     28  C   LIG    1        8.709  -0.286   0.392  0.00  0.00    +0.062 C 
ATOM     29  O   LIG    1        6.512   0.167  -0.702  0.00  0.00    -0.475 OA
ATOM     30  C   LIG    1        8.697  -0.997  -0.929  0.00  0.00    +0.062 C 
ATOM     31  O   LIG    1        7.400  -3.080   0.680  0.00  0.00    -0.271 OA
ATOM     32  C   LIG    1        5.321   0.314  -0.042  0.00  0.00    +0.146 A 
ATOM     33  C   LIG    1        4.596   1.480  -0.280  0.00  0.00    +0.048 A 
ATOM     34  C   LIG    1        3.349   1.661   0.327  0.00  0.00    +0.011 A 
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 4