REMARK  Name = BDB028226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.652   1.266   0.862  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.764   0.816  -0.240  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.070   1.262  -1.523  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.279   0.886  -2.614  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.176   0.053  -2.417  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.141  -0.406  -1.134  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.246   2.123  -1.724  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.546   2.545  -2.835  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.978   2.418  -0.601  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.796   3.009  -0.721  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.663  -0.029  -0.047  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -3.699   2.015   0.668  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.281  -1.295  -0.942  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.399  -1.024  -0.169  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1        3.229  -2.143  -0.258  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        4.454  -2.116   0.471  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        4.775  -1.027   1.196  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        3.894   0.120   1.246  0.00  0.00    +0.140 A 
ATOM     19  F   LIG    1        4.263   1.189   1.976  0.00  0.00    -0.204 F 
ATOM     20  N   LIG    1        2.717  -3.066  -1.041  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        2.736   0.110   0.574  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        1.524  -2.550  -1.472  0.00  0.00    +0.139 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.353   0.849   2.300  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.771  -0.541   2.494  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -2.675  -0.779   3.482  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -3.773  -0.603   2.299  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3