REMARK  Name = BDB050389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.856   0.654   0.489  0.00  0.00    +0.214 A 
ATOM      2  N   LIG    1       -1.554   0.379   0.356  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -1.206  -0.697  -0.381  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -2.176  -1.470  -1.001  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1       -1.859  -2.546  -1.736  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -3.483  -1.096  -0.823  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -3.849  -0.031  -0.085  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.200   1.754   1.243  0.00  0.00    -0.327 N 
ATOM      9  H   LIG    1       -4.099   2.112   0.951  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1       -2.428   2.404   1.285  0.00  0.00    +0.145 HD
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  N   LIG    1        0.152  -1.049  -0.593  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1        0.247  -2.059  -0.630  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.339  -0.408  -0.183  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        1.413   0.951   0.136  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.629   1.548   0.485  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.800   0.796   0.501  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.755  -0.551   0.156  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.537  -1.142  -0.192  0.00  0.00    +0.023 A 
ENDBRANCH  11  13
ENDBRANCH   3  11
TORSDOF 3