REMARK  Name = BDB036398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.096   0.903  -0.202  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.362   1.939  -1.085  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.235   2.782  -1.008  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.374   1.842  -2.164  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.588   0.712  -1.938  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.440   0.377  -2.815  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.648   1.228  -3.917  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.159   2.363  -4.132  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.190   2.680  -3.247  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.051   0.014  -0.698  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.914  -2.037   3.471  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.397  -1.214   2.720  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.759  -1.139   1.400  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.388  -1.869   1.096  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.012  -0.568   0.394  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.145  -0.944  -0.768  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.033   0.527   0.849  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.330   0.064   2.121  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.366  -0.219   3.197  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.308  -0.826  -2.581  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.247  -0.564  -1.513  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.941   0.149  -1.679  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.339  -1.378  -0.408  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.617  -2.348  -0.220  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.396  -1.038   0.581  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        3.815   0.278   0.789  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1        4.812   0.530   1.725  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        5.221   1.790   1.919  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        5.394  -0.500   2.461  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        4.966  -1.811   2.268  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        3.965  -2.080   1.332  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4