REMARK  Name = BDB012319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.042  -1.844   0.261  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.253  -1.515  -0.173  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.085  -2.485   0.353  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.250  -3.359   1.055  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.025  -2.997   0.999  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.624   0.636  -0.824  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.372   0.032  -0.655  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.299  -1.167   0.044  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -3.420  -1.750   0.561  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -4.613  -1.148   0.382  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.767   0.038  -0.300  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -4.837   2.489  -1.757  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -3.784   1.915  -1.553  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -2.617   2.419  -1.990  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -2.877   3.249  -2.446  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.496  -0.442  -0.938  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.848  -0.199  -1.339  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.648   0.506  -0.267  0.00  0.00    -0.007 A 
ATOM     19  C   LIG    1        3.987   0.152  -0.040  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        4.729   0.819   0.932  0.00  0.00    +0.159 A 
ATOM     21  F   LIG    1        6.005   0.463   1.139  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1        4.158   1.842   1.677  0.00  0.00    +0.158 A 
ATOM     23  F   LIG    1        4.877   2.481   2.610  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1        2.838   2.217   1.457  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        2.086   1.554   0.483  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6