REMARK  Name = BDB025642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.003   0.294  -1.721  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.925   0.297  -0.851  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.390   0.696  -1.186  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.237   0.570  -0.081  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.586   0.904  -0.165  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -3.082   1.376  -1.385  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.234   1.500  -2.493  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.501   0.011   1.095  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.881   1.158  -2.398  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.947   0.013   0.595  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        1.915   0.614  -2.912  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1        3.867   0.292   0.085  0.00  0.00    -0.255 N 
ATOM     13  C   LIG    1        3.363  -0.212  -1.235  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        3.429  -1.741  -1.171  0.00  0.00    +0.071 C 
ATOM     15  C   LIG    1        3.991  -2.080   0.196  0.00  0.00    +0.186 C 
ATOM     16  F   LIG    1        4.876  -3.099   0.094  0.00  0.00    -0.244 F 
ATOM     17  C   LIG    1        4.684  -0.813   0.662  0.00  0.00    +0.154 C 
BRANCH  12  19
ATOM     18  N   LIG    1        4.441   2.695   0.463  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        4.176   1.584   0.280  0.00  0.00    +0.170 C 
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1       -3.472   0.758   0.964  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.213  -0.366   1.426  0.00  0.00    +0.173 A 
ATOM     22  N   LIG    1       -4.909  -0.048   2.539  0.00  0.00    -0.169 NA
ATOM     23  N   LIG    1       -4.625   1.247   2.754  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1       -5.056   1.708   3.550  0.00  0.00    +0.188 HD
ATOM     25  C   LIG    1       -3.764   1.776   1.841  0.00  0.00    +0.114 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -4.241  -1.733   0.796  0.00  0.00    +0.437 C 
ATOM     27  F   LIG    1       -5.071  -2.606   1.428  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1       -3.007  -2.312   0.794  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -4.647  -1.687  -0.502  0.00  0.00    -0.164 F 
ENDBRANCH  21  26
ENDBRANCH   5  20
TORSDOF 4