REMARK  Name = BDB002955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.136  -0.039  -0.749  0.00  0.00    +0.193 C 
ATOM      2  C   LIG    1       -1.183  -0.634   0.323  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -1.113   0.355   1.445  0.00  0.00    +0.209 C 
ATOM      4  O   LIG    1       -0.179   1.305   1.204  0.00  0.00    -0.447 OA
ATOM      5  C   LIG    1        0.455   0.954  -0.032  0.00  0.00    +0.219 C 
ATOM      6  C   LIG    1        1.915   1.414   0.007  0.00  0.00    +0.079 C 
ATOM      7  C   LIG    1        2.856   0.354  -0.559  0.00  0.00    +0.006 C 
ATOM      8  C   LIG    1        2.749  -0.971   0.203  0.00  0.00    +0.001 C 
ATOM      9  C   LIG    1        1.333  -1.285   0.703  0.00  0.00    +0.012 C 
ATOM     10  O   LIG    1       -0.218   1.544  -1.151  0.00  0.00    -0.336 OA
ATOM     11  N   LIG    1       -1.850   0.411   2.489  0.00  0.00    -0.270 NA
ATOM     12  H   LIG    1       -1.565   1.224   3.054  0.00  0.00    +0.190 HD
ATOM     13  C   LIG    1        0.279  -0.557  -0.143  0.00  0.00    +0.093 C 
ATOM     14  C   LIG    1       -1.649   1.386  -1.141  0.00  0.00    +0.203 C 
ENDROOT
BRANCH   1  16
ATOM     15  N   LIG    1       -2.042  -1.526  -2.926  0.00  0.00    -0.195 NA
ATOM     16  C   LIG    1       -2.111  -0.875  -1.968  0.00  0.00    +0.089 C 
ENDBRANCH   1  16
BRANCH   2  17
ATOM     17  C   LIG    1       -1.577  -1.972   0.760  0.00  0.00    +0.082 C 
ATOM     18  N   LIG    1       -1.866  -3.058   1.047  0.00  0.00    -0.195 NA
ENDBRANCH   2  17
BRANCH   1  19
ATOM     19  C   LIG    1       -3.528   0.073  -0.268  0.00  0.00    +0.089 C 
ATOM     20  N   LIG    1       -4.625   0.200   0.085  0.00  0.00    -0.195 NA
ENDBRANCH   1  19
TORSDOF 3