REMARK  Name = BDB005998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.229   1.784   1.304  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        3.891   1.410   1.222  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        2.851   1.627   0.198  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.663   1.088   0.676  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1        1.855   0.367   1.920  0.00  0.00    +0.147 C 
ATOM      6  O   LIG    1        3.016   2.167  -0.880  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.278   0.658   2.236  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        3.982   0.259   3.351  0.00  0.00    +0.129 A 
ATOM      9  F   LIG    1        3.386  -0.462   4.308  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.318   0.610   3.470  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        5.933   1.364   2.456  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        0.467   0.944  -0.161  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1        0.536  -0.336  -1.006  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -0.860  -0.776  -1.441  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -1.694  -1.127  -0.287  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -1.469  -0.306   0.909  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.850   1.059   0.618  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.112  -1.399  -0.572  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -3.287  -2.544  -1.592  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -4.761  -2.887  -1.801  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -5.561  -1.660  -2.201  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1       -5.173  -1.257  -3.438  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1       -6.874  -1.987  -2.295  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1       -5.396  -0.507  -1.227  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -3.923  -0.160  -1.009  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  29
ATOM     26  N   LIG    1        5.395   3.145  -0.754  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        5.975   3.615  -1.435  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        4.437   2.937  -1.033  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1        6.012   2.585   0.319  0.00  0.00    +0.242 C 
ATOM     30  O   LIG    1        7.218   2.755   0.475  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3