REMARK  Name = BDB040785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.894   1.089   0.903  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.293   0.493   1.464  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -1.028   1.789   1.066  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.129   1.970   0.063  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.536  -0.880  -0.082  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.165   0.317  -0.695  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1        4.974   0.890  -1.596  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        2.970   0.965  -0.379  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        2.095   0.431   0.571  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        2.468  -0.755   1.210  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.666  -1.391   0.882  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1        3.986  -2.521   1.530  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1        8.851   0.821  -1.882  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        7.999   0.075  -1.406  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        7.319  -0.816  -2.195  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        7.540  -0.780  -3.181  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        6.218  -1.567  -1.863  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1        5.571  -2.143  -2.736  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.825  -1.611  -0.392  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1        6.990  -1.179   0.506  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        7.600   0.135   0.048  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1       -2.302   1.590   0.436  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1       -2.544   2.266  -0.279  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.344   1.057   1.098  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1       -4.571   1.237   0.527  0.00  0.00    -0.409 OA
ATOM     26  C   LIG    1       -5.386   0.584   1.415  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1       -4.729   0.080   2.438  0.00  0.00    -0.111 NA
ATOM     28  N   LIG    1       -3.401   0.388   2.228  0.00  0.00    -0.093 NA
BRANCH  26  29
ATOM     29  C   LIG    1       -6.839   0.559   1.122  0.00  0.00    +0.132 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.212  -0.459   0.069  0.00  0.00    -0.038 A 
ATOM     31  C   LIG    1       -7.309  -1.819   0.401  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.640  -2.763  -0.572  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.873  -2.359  -1.885  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.772  -1.012  -2.228  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.441  -0.066  -1.257  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6