REMARK  Name = BDB032572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.301   0.366   0.801  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.709  -0.799   0.416  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.539  -0.903   1.001  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.693   0.200   1.734  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.437   1.038   1.634  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.573  -0.344  -0.008  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.618   0.652   0.245  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -2.958   1.983  -0.054  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -4.210   2.319  -0.583  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -5.149   1.316  -0.811  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -4.834  -0.012  -0.515  0.00  0.00    +0.050 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -4.384   3.654  -0.824  0.00  0.00    -0.495 OA
ATOM     13  C   LIG    1       -5.640   4.053  -1.360  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
BRANCH   6  14
ATOM     14  O   LIG    1       -3.324  -1.647   0.342  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.579  -3.800  -0.370  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.178  -2.479  -0.815  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  N   LIG    1        1.817   0.508   2.480  0.00  0.00    -0.197 N 
ATOM     18  H   LIG    1        1.938   1.445   2.851  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.249  -0.361   2.422  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1        2.958  -1.696   2.901  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        4.231   0.459   3.109  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.701  -0.372   0.711  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1        4.054  -1.554   0.054  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        4.397  -1.526  -1.304  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.359  -0.330  -2.017  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.014   0.852  -1.366  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.717   0.838   0.001  0.00  0.00    +0.150 A 
BRANCH  23  28
ATOM     28  O   LIG    1        4.198  -2.738   0.722  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1        3.134  -3.641   0.410  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
BRANCH  27  30
ATOM     30  O   LIG    1        3.387   2.021   0.614  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        4.539   2.859   0.753  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 9