REMARK  Name = BDB031328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.225  -2.394   0.640  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -3.234  -1.042   0.994  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -2.105  -0.254   0.709  0.00  0.00    +0.093 A 
ATOM      4  N   LIG    1       -1.917   1.077   0.945  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.700   1.359   0.519  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.091   0.235  -0.041  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1       -0.990  -0.819   0.101  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -0.976  -2.167  -0.292  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -2.109  -2.938   0.001  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.194   0.151  -0.645  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.032  -0.934  -0.338  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        3.258  -0.962  -0.960  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        3.663   0.024  -1.857  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1        4.940  -0.298  -2.301  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.510   0.213  -2.954  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        5.346  -1.488  -1.679  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1        6.408  -2.062  -1.832  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1        2.863   1.092  -2.183  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        4.289  -1.888  -0.848  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        4.311  -2.717  -0.278  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        1.607   1.151  -1.565  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -0.038   2.694   0.752  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -0.738   3.784  -0.060  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -0.065   3.045   2.243  0.00  0.00    +0.015 C 
ENDBRANCH   5  22
BRANCH   1  26
ATOM     25  C   LIG    1       -5.406  -2.780   1.505  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.246  -3.282   0.852  0.00  0.00    -0.495 OA
ENDBRANCH   1  26
TORSDOF 3