REMARK  Name = BDB047171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.254  -0.150   1.215  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.208  -0.704   0.471  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.136  -1.360   1.105  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.148  -1.489   2.500  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.189  -0.945   3.248  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.233  -0.276   2.609  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.848   0.528  -1.627  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1        3.590   0.823  -0.692  0.00  0.00    +0.321 C 
ATOM      9  N   LIG    1        3.351   0.532   0.654  0.00  0.00    -0.278 N 
ATOM     10  H   LIG    1        4.055   0.868   1.307  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.917   1.580  -0.901  0.00  0.00    +0.470 C 
ATOM     12  F   LIG    1        5.557   1.806   0.288  0.00  0.00    -0.162 F 
ATOM     13  F   LIG    1        4.745   2.801  -1.473  0.00  0.00    -0.162 F 
ATOM     14  F   LIG    1        5.799   0.896  -1.679  0.00  0.00    -0.162 F 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -0.989  -1.981   0.305  0.00  0.00    +0.093 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.498  -1.118  -0.842  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1       -2.301   0.100  -0.561  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -2.716   0.855  -1.657  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.474   2.019  -1.477  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -3.822   2.427  -0.191  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.415   1.675   0.910  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.353   0.413  -3.013  0.00  0.00    +0.272 A 
ATOM     23  O   LIG    1       -2.697   1.047  -4.004  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -1.623  -0.747  -3.095  0.00  0.00    -0.242 N 
ATOM     25  H   LIG    1       -1.348  -1.059  -4.021  0.00  0.00    +0.192 HD
ATOM     26  C   LIG    1       -2.657   0.513   0.729  0.00  0.00    +0.010 A 
ATOM     27  N   LIG    1       -1.196  -1.502  -2.049  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4