REMARK  Name = BDB031058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.046   0.755   0.589  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        0.464   2.055   0.318  0.00  0.00    +0.154 A 
ATOM      3  F   LIG    1        1.686   2.487   0.660  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1       -0.408   2.928  -0.309  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -1.675   2.466  -0.636  0.00  0.00    +0.166 A 
ATOM      6  F   LIG    1       -2.535   3.300  -1.240  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1       -2.056   1.152  -0.325  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -1.197   0.302   0.283  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1        4.272  -0.631  -0.188  0.00  0.00    -0.000 A 
ATOM     10  C   LIG    1        3.012  -0.153  -0.079  0.00  0.00    +0.099 A 
ATOM     11  N   LIG    1        2.174  -0.581   0.957  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        2.564  -1.532   1.899  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        1.595  -1.816   2.741  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        0.543  -1.038   2.345  0.00  0.00    +0.141 A 
ATOM     15  C   LIG    1        3.884  -2.045   1.799  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        0.871  -0.226   1.274  0.00  0.00    +0.094 A 
ATOM     17  C   LIG    1        4.695  -1.622   0.813  0.00  0.00    +0.011 A 
BRANCH   9  19
ATOM     18  C   LIG    1        4.657   0.491  -2.472  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        5.277  -0.233  -1.268  0.00  0.00    +0.087 C 
ATOM     20  C   LIG    1        6.389   0.641  -0.669  0.00  0.00    +0.046 C 
BRANCH  19  21
ATOM     21  O   LIG    1        5.876  -1.434  -1.772  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1        6.537  -1.181  -2.438  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
ENDBRANCH   9  19
ENDBRANCH   1  16
BRANCH   7  23
ATOM     23  N   LIG    1       -3.330   0.706  -0.716  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -4.016   1.417  -0.445  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.752  -0.611  -0.187  0.00  0.00    +0.119 C 
ATOM     26  C   LIG    1       -4.893  -1.170  -1.056  0.00  0.00    +0.189 C 
ATOM     27  F   LIG    1       -5.139  -2.461  -0.677  0.00  0.00    -0.243 F 
ATOM     28  C   LIG    1       -6.189  -0.381  -0.903  0.00  0.00    +0.054 C 
ATOM     29  C   LIG    1       -6.557  -0.199   0.567  0.00  0.00    +0.084 C 
ATOM     30  N   LIG    1       -5.458   0.407   1.325  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -5.743   0.493   2.302  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -4.264  -0.463   1.264  0.00  0.00    +0.106 C 
ENDBRANCH  23  25
ENDBRANCH   7  23
TORSDOF 5