REMARK  Name = BDB016607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.275   2.976   1.230  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1       -0.618   1.605   1.042  0.00  0.00    +0.187 C 
ATOM      3  O   LIG    1       -1.535   0.586   1.508  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1       -2.138  -0.092   0.480  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -1.714  -1.388   0.135  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.405  -2.057  -0.894  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.485  -1.454  -1.531  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -3.919  -0.191  -1.160  0.00  0.00    +0.042 A 
ATOM      9  F   LIG    1       -4.125  -2.115  -2.504  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.556  -2.063   0.850  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.029  -3.289   1.637  0.00  0.00    +0.033 C 
ATOM     12  N   LIG    1        0.460  -2.480  -0.113  0.00  0.00    -0.322 N 
ATOM     13  H   LIG    1        0.205  -3.295  -0.656  0.00  0.00    +0.148 HD
ATOM     14  C   LIG    1        1.329  -1.590  -0.705  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1        1.524  -0.411  -0.170  0.00  0.00    -0.213 NA
ATOM     16  C   LIG    1        2.378   0.468  -0.777  0.00  0.00    +0.170 A 
ATOM     17  N   LIG    1        3.029   0.109  -1.966  0.00  0.00    -0.221 N 
ATOM     18  C   LIG    1        2.838  -1.141  -2.536  0.00  0.00    +0.118 A 
ATOM     19  N   LIG    1        3.819   1.094  -2.438  0.00  0.00    -0.173 NA
ATOM     20  C   LIG    1        3.693   2.062  -1.537  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        2.809   1.750  -0.469  0.00  0.00    +0.100 A 
ATOM     22  C   LIG    1        2.564   2.685   0.617  0.00  0.00    +0.249 C 
ATOM     23  O   LIG    1        3.197   3.745   0.662  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        1.663   2.512   1.628  0.00  0.00    -0.308 N 
ATOM     25  H   LIG    1        1.680   3.309   2.252  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        2.021  -2.030  -1.963  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -3.251   0.487  -0.143  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        0.654   1.508   1.910  0.00  0.00    +0.148 C 
ENDROOT
TORSDOF 0