REMARK  Name = BDB032668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.548  -0.663  -0.433  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        0.716  -1.740  -0.312  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.539  -1.423  -0.795  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.456  -0.160  -1.219  0.00  0.00    +0.182 A 
ATOM      5  C   LIG    1        0.833   0.366  -1.003  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        3.736   0.238   0.436  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        2.918  -0.847   0.047  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        3.450  -2.150   0.119  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.754  -2.377   0.559  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.551  -1.304   0.935  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.047  -0.004   0.874  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        3.950   2.588   0.849  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        3.181   1.493   0.367  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1       -1.514   0.559  -1.760  0.00  0.00    -0.184 N 
ATOM     15  H   LIG    1       -1.293   1.440  -2.215  0.00  0.00    +0.177 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.814  -0.186  -2.489  0.00  0.00    +0.125 S 
ATOM     17  O   LIG    1       -3.714   0.872  -2.889  0.00  0.00    -0.135 OA
ATOM     18  O   LIG    1       -2.302  -1.117  -3.467  0.00  0.00    -0.135 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -3.476  -1.082  -1.230  0.00  0.00    -0.204 N 
ATOM     20  H   LIG    1       -2.822  -1.833  -1.000  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.007  -0.382  -0.103  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -3.396  -0.531   1.145  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -3.902   0.145   2.257  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.021   0.965   2.126  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.639   1.106   0.884  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.134   0.431  -0.229  0.00  0.00    +0.024 A 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 6