REMARK  Name = BDB021895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.344  -1.345   1.226  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.886  -2.165   1.471  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        0.932  -1.712   0.904  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        1.734  -0.716   0.422  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        1.373   0.219   0.505  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        1.243  -2.886   1.073  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -3.848  -0.010  -0.264  0.00  0.00    -0.302 NA
ATOM      8  C   LIG    1       -2.708   0.639  -0.909  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -1.417  -0.127  -0.633  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1       -1.091  -0.138   0.867  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -2.348   0.005   1.737  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1       -3.580  -0.586   1.055  0.00  0.00    +0.086 C 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.165   2.022   0.476  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -5.096   0.748  -0.361  0.00  0.00    +0.081 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  15
ATOM     15  C   LIG    1        3.055  -0.828  -0.059  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.714   0.361  -0.402  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        5.029   0.347  -0.902  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.687  -0.881  -1.045  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        5.036  -2.067  -0.710  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.726  -2.040  -0.223  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.728   1.639  -1.241  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        4.875   2.600  -1.694  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        6.363   2.182  -0.166  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        6.677   1.500  -2.208  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   4  15
TORSDOF 4