REMARK  Name = BDB003922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.061   1.263   0.325  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -0.770   2.119  -0.557  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.109   1.763  -0.409  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -3.131   2.396  -1.135  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.765   3.408  -2.029  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.432   3.777  -2.192  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.114   0.759   0.534  0.00  0.00    -0.252 N 
ATOM      8  C   LIG    1       -0.423   3.142  -1.461  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -0.876   0.413   0.960  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.242  -0.060   0.996  0.00  0.00    +0.194 C 
ATOM     11  C   LIG    1       -4.330   0.760   1.671  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.284   1.980   1.824  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -5.409   0.094   2.224  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.950   0.714   2.817  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.590  -1.230   2.553  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -6.235  -1.525   3.558  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.947  -2.293   1.690  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -4.902  -1.898   0.222  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -3.739  -0.972  -0.134  0.00  0.00    +0.037 C 
ENDBRANCH   7  10
BRANCH   1  20
ATOM     20  C   LIG    1        1.409   1.205   0.567  0.00  0.00    +0.069 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.067   0.081  -0.225  0.00  0.00    +0.127 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.553   0.050   0.016  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1        4.187   0.914   0.602  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.071  -1.077  -0.543  0.00  0.00    -0.459 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.311  -0.295  -1.206  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        5.493  -1.360  -0.468  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1        5.663  -2.702  -1.196  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.950  -1.530   0.985  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6