REMARK  Name = BDB016946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.011  -3.025  -2.449  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.519  -2.644  -1.153  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.371  -1.418  -0.537  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.006  -1.578   0.691  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -1.522  -2.858   0.806  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -1.213  -3.465  -0.314  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.345  -0.297  -1.135  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.642   0.015  -0.715  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.340   1.083  -1.292  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.746   1.849  -2.295  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        0.448   1.536  -2.712  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -0.251   0.472  -2.136  0.00  0.00    +0.013 A 
BRANCH  10  13
ATOM     13  O   LIG    1        2.304   2.914  -2.943  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        3.614   3.303  -2.567  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        3.662   3.670  -1.268  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        4.500   2.309  -2.790  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        3.980   4.366  -3.316  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.152  -0.585   1.754  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1       -0.839   0.705   1.471  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1       -0.969   1.625   2.449  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -1.428   1.330   3.716  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -1.766   0.005   3.981  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1       -1.615  -0.974   3.002  0.00  0.00    +0.045 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -2.255  -0.394   5.314  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -1.825  -1.355   5.924  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.244   0.408   5.762  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -3.604   1.022   5.095  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 6