REMARK  Name = BDB052418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.125  -0.287   1.020  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -3.161   0.614   0.490  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.223   2.055   0.103  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.077   2.432  -0.870  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.768   1.741  -0.588  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.712   0.495   0.015  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        0.415  -0.199   0.233  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        1.559   0.373  -0.183  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        1.607   1.574  -0.784  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        0.449   2.230  -0.983  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.966  -0.084   0.466  0.00  0.00    +0.092 A 
ATOM     12  N   LIG    1       -2.250  -1.330   0.944  0.00  0.00    -0.253 N 
ATOM     13  N   LIG    1       -3.546  -1.472   1.293  0.00  0.00    -0.165 NA
ENDROOT
BRANCH   1  17
ATOM     14  N   LIG    1       -6.216   0.699   0.358  0.00  0.00    -0.324 N 
ATOM     15  H   LIG    1       -7.223   0.672   0.453  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -5.849   0.744  -0.582  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1       -5.554  -0.063   1.287  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -6.170  -0.535   2.238  0.00  0.00    -0.269 OA
ENDBRANCH   1  17
BRANCH   8  19
ATOM     19  N   LIG    1        2.707  -0.378   0.052  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        2.452  -1.255   0.478  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.069  -0.187  -0.211  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        4.969  -1.206   0.147  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.342  -1.081  -0.083  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.844   0.072  -0.677  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.972   1.094  -1.037  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.598   0.963  -0.804  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   8  19
BRANCH  12  27
ATOM     27  C   LIG    1       -1.358  -2.443   1.171  0.00  0.00    +0.257 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.147  -3.257  -0.075  0.00  0.00    +0.409 C 
ATOM     29  F   LIG    1       -2.267  -3.905  -0.464  0.00  0.00    -0.169 F 
ATOM     30  F   LIG    1       -0.204  -4.208   0.153  0.00  0.00    -0.169 F 
ATOM     31  F   LIG    1       -0.715  -2.525  -1.124  0.00  0.00    -0.169 F 
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 5