REMARK  Name = BDB057065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.991  -1.323   0.860  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        3.299  -0.875   0.618  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        3.415   0.468   0.329  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.575   0.932   0.031  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        4.257  -1.645   0.664  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -1.700   0.796   0.595  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -1.294  -0.014  -0.548  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.227  -0.188  -0.534  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.785  -0.450   0.880  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -0.328  -0.897   1.836  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -1.455   0.143   1.885  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -3.047   1.373   0.483  0.00  0.00    +0.085 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.188   0.366   0.239  0.00  0.00    +0.021 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.614  -0.166  -0.097  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -5.619   0.971   0.215  0.00  0.00    -0.037 C 
ATOM     16  C   LIG    1       -5.990   1.576   1.579  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -5.754   2.049  -0.872  0.00  0.00    +0.010 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1        4.600   1.219   0.177  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        4.468   2.527  -0.311  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        5.591   3.353  -0.493  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1        6.858   2.859  -0.158  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        6.996   1.563   0.336  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.872   0.749   0.503  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.428   4.763  -1.001  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1        5.254   5.660   0.008  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        4.351   4.913  -1.823  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        6.502   5.205  -1.715  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
ENDBRANCH   3  18
BRANCH   1  28
ATOM     28  C   LIG    1        1.823  -2.780   0.996  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.314  -3.448  -0.262  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        0.046  -4.045  -0.299  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -0.418  -4.655  -1.467  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.382  -4.681  -2.607  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.649  -4.104  -2.580  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        2.115  -3.494  -1.414  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8