REMARK  Name = BDB012719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.579  -0.392  -0.437  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -0.212  -0.599  -1.799  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.159  -0.325  -1.909  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        1.839  -0.435  -3.136  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        1.110  -0.825  -4.263  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.246  -1.096  -4.164  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.921  -1.468  -5.260  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.601   0.026  -0.644  0.00  0.00    -0.339 N 
ATOM      9  C   LIG    1       -0.924  -0.991  -2.952  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.557  -0.044   0.249  0.00  0.00    +0.110 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.961   0.379  -0.297  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1        3.661  -0.615   0.619  0.00  0.00    +0.185 C 
ATOM     13  O   LIG    1        4.688   0.114   1.315  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1        4.515   1.513   1.049  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1        3.131   1.683   0.462  0.00  0.00    +0.055 C 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.824  -0.592   0.057  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -2.475  -1.125  -0.531  0.00  0.00    +0.152 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.607  -0.830   1.745  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -2.454  -0.181   1.256  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1       -1.961   0.841   2.065  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1       -2.490   1.231   3.253  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1       -3.583   0.572   3.679  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.177  -0.451   2.969  0.00  0.00    +0.036 A 
BRANCH  18  25
ATOM     24  O   LIG    1       -3.987  -2.176  -0.215  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -4.245  -1.907   0.946  0.00  0.00    +0.339 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -5.173  -2.599   1.631  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -5.492  -3.272   0.994  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5