REMARK  Name = BDB022169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.230  -1.064  -0.340  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.244  -0.016   0.204  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.615  -0.607   0.324  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.910  -0.069   0.562  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.835  -1.037   0.650  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -4.144  -2.182   0.501  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -4.847  -3.439   0.559  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.322   1.347   0.733  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.808  -1.968   0.337  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.818  -2.913   0.271  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -1.986  -3.883   0.505  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.510  -2.503   0.174  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.403  -3.298   0.415  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.371   1.219  -0.676  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -1.825   1.148  -2.007  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -1.905   2.300  -2.785  0.00  0.00    +0.159 A 
ATOM     17  F   LIG    1       -2.353   2.211  -4.046  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -1.536   3.531  -2.261  0.00  0.00    +0.158 A 
ATOM     19  F   LIG    1       -1.621   4.639  -3.010  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1       -1.079   3.627  -0.952  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -0.995   2.477  -0.163  0.00  0.00    +0.007 A 
ENDBRANCH   2  14
BRANCH   1  23
ATOM     22  C   LIG    1        1.947   0.066  -0.750  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1        1.164  -0.760   0.026  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        1.641  -1.498   0.537  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        1.519   0.683  -1.718  0.00  0.00    -0.270 OA
BRANCH  22  29
ATOM     26  C   LIG    1        5.705  -0.356   2.601  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.212  -0.025   1.223  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        3.847  -0.127   0.914  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        3.389   0.151  -0.382  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        4.303   0.545  -1.368  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        5.662   0.632  -1.069  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.115   0.340   0.217  0.00  0.00    +0.003 A 
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 3