REMARK  Name = BDB002167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.618   0.834  -1.258  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1        0.045   1.405  -0.017  0.00  0.00    +0.126 C 
ATOM      3  C   LIG    1       -0.582   0.294   0.865  0.00  0.00    +0.124 C 
ATOM      4  N   LIG    1       -1.603  -0.480   0.105  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1       -1.061  -1.017  -1.171  0.00  0.00    +0.124 C 
ATOM      6  C   LIG    1       -0.406   0.092  -2.032  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.921  -0.030   0.187  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -3.511   0.179   1.446  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -4.837   0.627   1.599  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -5.611   0.848   0.456  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -5.063   0.627  -0.803  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.740   0.188  -0.930  0.00  0.00    +0.023 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.419   0.814   2.976  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -4.511   1.280   3.879  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -5.905  -0.346   3.498  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.455   1.699   3.005  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     17  C   LIG    1        4.261  -0.270  -0.879  0.00  0.00    +0.079 A 
ATOM     18  C   LIG    1        3.522  -1.107  -1.698  0.00  0.00    +0.229 A 
ATOM     19  N   LIG    1        2.205  -0.796  -1.904  0.00  0.00    -0.190 NA
ATOM     20  C   LIG    1        1.873   0.282  -1.226  0.00  0.00    +0.165 A 
ATOM     21  S   LIG    1        3.184   0.962  -0.325  0.00  0.00    -0.049 S 
BRANCH  17  23
ATOM     22  C   LIG    1        6.351   0.770  -0.289  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        5.638  -0.361  -0.462  0.00  0.00    -0.039 C 
ATOM     24  C   LIG    1        6.329  -1.688  -0.228  0.00  0.00    +0.044 C 
ENDBRANCH  17  23
BRANCH  18  25
ATOM     25  O   LIG    1        4.053  -2.187  -2.291  0.00  0.00    -0.492 OA
ATOM     26  H   LIG    1        3.336  -2.574  -2.822  0.00  0.00    +0.294 HD
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 5