REMARK  Name = BDB025492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.638   0.838   0.098  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -3.316   1.009  -0.554  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1       -2.303   0.115   0.104  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -0.983   0.254  -0.042  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.450  -0.772   0.697  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -1.455  -1.568   1.262  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        0.947  -0.923   0.832  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        1.391  -1.812   1.556  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.648  -1.001   0.894  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -4.061  -1.351   1.184  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -5.013  -0.587   0.229  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.777   0.097   0.063  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.138  -0.444  -0.376  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        4.306   0.346  -0.254  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        5.557  -0.205  -0.623  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1        5.611  -1.479  -1.207  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        4.448  -2.210  -1.391  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        4.511  -3.421  -1.961  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        6.843   0.551  -0.427  0.00  0.00    +0.046 C 
ATOM     20  N   LIG    1        4.255   1.617   0.347  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.001   2.226   0.024  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        2.958   2.272   0.360  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        3.220  -1.709  -0.985  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.925   1.337   0.953  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   6  25
ATOM     25  N   LIG    1       -1.209  -2.668   2.011  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -1.920  -3.053   2.627  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -0.251  -2.852   2.330  0.00  0.00    +0.144 HD
ENDBRANCH   6  25
BRANCH   1  29
ATOM     28  C   LIG    1       -6.096   1.273  -1.946  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -5.680   1.657  -0.529  0.00  0.00    +0.081 C 
ENDBRANCH   1  29
TORSDOF 3