REMARK  Name = BDB016310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.884  -2.071  -1.674  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.993  -0.848  -0.758  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.647  -0.377  -0.468  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.981  -1.160  -0.395  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.444   0.507   0.612  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.397   1.435   1.090  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.065   2.277   2.175  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.805   2.259   2.767  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.164   1.403   2.272  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -3.706   1.641   0.607  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.282   2.299   1.119  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.386   1.169  -0.467  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.547   1.557  -0.631  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.142   0.557   1.194  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.745   0.259  -1.463  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.940  -0.351   0.708  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        2.153   0.274   0.485  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        2.166   1.283   0.560  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        0.666  -1.532   0.524  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.361  -0.324   0.068  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.445   0.529  -0.179  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        5.678   0.015  -0.590  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.839  -1.357  -0.755  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.768  -2.213  -0.509  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.534  -1.699  -0.098  0.00  0.00    +0.023 A 
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2