REMARK  Name = BDB028227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.531   0.187  -0.249  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.113   0.140  -0.687  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.843  -0.493  -1.895  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.534  -0.570  -2.378  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.487  -0.014  -1.639  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.729   0.621  -0.409  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.950  -1.096  -2.655  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.756  -1.659  -3.727  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.197  -0.992  -2.091  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.973  -1.405  -2.600  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.056   0.687   0.056  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.500  -0.365  -0.923  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.378   1.192   0.373  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.523   0.445   0.684  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.560   1.023   1.417  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.406   2.328   1.858  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        1.323   3.090   1.585  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        0.346   2.506   0.849  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.696   0.348   1.787  0.00  0.00    -0.454 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.313  -0.419   0.825  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1        4.636   0.080  -0.438  0.00  0.00    +0.084 A 
ATOM     22  C   LIG    1        5.288  -0.749  -1.343  0.00  0.00    +0.127 A 
ATOM     23  F   LIG    1        5.590  -0.282  -2.562  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        5.635  -2.053  -1.006  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        5.333  -2.540   0.265  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.678  -1.719   1.185  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -4.905   0.901   1.047  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.569   0.042   2.183  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -4.919   0.475   3.038  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -5.094  -0.831   2.089  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5