REMARK  Name = BDB018177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.120   1.037  -0.439  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.759  -0.045  -0.513  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        2.071   0.146  -0.960  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.505   1.406  -1.373  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.632   2.489  -1.305  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.328   2.304  -0.839  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.098  -0.172   0.528  0.00  0.00    +0.256 C 
ATOM      8  N   LIG    1       -1.454   0.940   0.003  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -1.989   1.804   0.021  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.605  -1.278   0.718  0.00  0.00    -0.272 OA
BRANCH   7  13
ATOM     11  N   LIG    1       -5.754  -0.669   0.124  0.00  0.00    -0.266 N 
ATOM     12  C   LIG    1       -4.407  -0.303  -0.426  0.00  0.00    +0.166 C 
ATOM     13  C   LIG    1       -3.572   0.112   0.788  0.00  0.00    +0.204 C 
ATOM     14  F   LIG    1       -3.789   1.445   1.032  0.00  0.00    -0.230 F 
ATOM     15  C   LIG    1       -4.183  -0.694   1.918  0.00  0.00    +0.071 C 
ATOM     16  C   LIG    1       -5.670  -0.613   1.608  0.00  0.00    +0.120 C 
BRANCH  11  18
ATOM     17  N   LIG    1       -7.881  -0.453  -1.164  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -6.896  -0.560  -0.566  0.00  0.00    +0.169 C 
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  O   LIG    1        2.872  -0.972  -1.041  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.144  -0.872  -0.524  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.186  -1.380  -1.301  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        6.495  -1.338  -0.821  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.758  -0.803   0.441  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.712  -0.318   1.227  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.402  -0.358   0.749  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5