REMARK  Name = BDB050176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.069   0.165  -0.109  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        1.173  -0.719   0.524  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1        1.321  -2.102   0.319  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.321  -2.600  -0.514  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        3.191  -1.721  -1.148  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.069  -0.345  -0.945  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.773   2.420  -0.463  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1        1.891   1.497   0.161  0.00  0.00    -0.495 OA
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  C   LIG    1        0.068  -0.226   1.439  0.00  0.00    +0.043 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.286   0.132   0.786  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -1.205   1.287  -0.220  0.00  0.00    +0.084 C 
ATOM     12  N   LIG    1       -2.526   1.763  -0.657  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1       -2.437   2.149  -1.596  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -3.573   0.743  -0.630  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -3.047  -0.663  -0.882  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -2.004  -1.077   0.159  0.00  0.00    +0.006 C 
ENDBRANCH   9  10
ENDBRANCH   2   9
TORSDOF 3