REMARK  Name = BDB036403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.324  -0.474  -0.321  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.637  -1.144  -1.493  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.564  -0.932  -2.252  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.624  -2.190  -1.669  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.689  -2.074  -0.639  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.392  -2.947  -0.564  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.496  -3.930  -1.567  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.457  -4.031  -2.599  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.536  -3.151  -2.658  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.052  -0.917   0.237  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -3.149   4.503   1.830  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.159   3.410   1.270  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -2.498   3.217   0.085  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -1.945   4.005  -0.226  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -2.124   2.003  -0.448  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -1.193   1.942  -1.248  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.946   0.794   0.035  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.182   0.923   1.537  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.914   2.225   1.825  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.432  -2.835   0.517  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.321  -1.725   0.257  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.826  -1.738  -0.621  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.293  -0.569   0.998  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        1.605  -0.436   2.006  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.165   0.554   0.553  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        3.458   0.866  -0.784  0.00  0.00    +0.056 A 
ATOM     27 CL   LIG    1        2.816  -0.007  -2.132  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.287   1.953  -1.085  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1        4.811   2.728  -0.057  0.00  0.00    +0.125 A 
ATOM     30  F   LIG    1        5.602   3.766  -0.353  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.522   2.446   1.270  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        3.696   1.363   1.576  0.00  0.00    +0.017 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4