REMARK  Name = BDB032667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.528  -0.134  -0.772  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -1.753   0.168  -1.855  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.590  -0.578  -1.824  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.673  -1.335  -0.731  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -1.868  -1.086  -0.028  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.467   0.760   0.570  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -3.798   0.586  -0.664  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -4.384   1.120  -1.828  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -5.598   1.805  -1.780  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.250   1.967  -0.565  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.690   1.448   0.604  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.477   0.471   2.947  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.860   0.240   1.687  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1        0.305  -2.218  -0.309  0.00  0.00    -0.201 N 
ATOM     15  H   LIG    1        0.207  -2.710   0.574  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        1.612  -2.689  -1.215  0.00  0.00    +0.045 S 
ATOM     17  O   LIG    1        2.365  -3.577  -0.351  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        1.147  -3.167  -2.499  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.578  -1.193  -1.463  0.00  0.00    +0.192 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.815  -0.342  -0.205  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        3.417   1.028  -0.592  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        4.938   1.037  -0.503  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        5.423   0.751   0.918  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        4.455  -0.112   1.727  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        3.686  -1.078   0.833  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 6