REMARK  Name = BDB050796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.084   1.475   1.115  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.084   1.021   0.278  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        2.759  -0.196   0.538  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        3.780  -0.585  -0.341  0.00  0.00    +0.026 A 
ATOM      5  S   LIG    1        4.433  -2.119   0.138  0.00  0.00    -0.096 S 
ATOM      6  C   LIG    1        3.419  -2.231   1.498  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.161   0.215  -1.455  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        3.463   1.426  -1.650  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.579  -1.151   1.599  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.449   1.832  -0.794  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.263  -0.158  -2.433  0.00  0.00    +0.079 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.676   0.335  -2.061  0.00  0.00    +0.230 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.732   1.868  -2.000  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1        7.098   2.568  -1.070  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1        6.385   2.453  -3.170  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1        6.502   3.410  -2.982  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  O   LIG    1        7.106  -0.341  -0.880  0.00  0.00    -0.368 OA
ATOM     18  C   LIG    1        8.507  -0.266  -0.660  0.00  0.00    +0.195 C 
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1       -0.182   0.947   0.690  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.243   1.400   1.687  0.00  0.00    +0.100 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -4.245  -0.381   1.031  0.00  0.00    +0.231 A 
ATOM     22  O   LIG    1       -4.684   0.823   0.546  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -3.633   1.674   0.726  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -3.825   3.072   0.305  0.00  0.00    +0.088 C 
ATOM     25  C   LIG    1       -2.603   0.958   1.294  0.00  0.00    +0.086 A 
ATOM     26  N   LIG    1       -2.997  -0.349   1.469  0.00  0.00    -0.214 NA
BRANCH  21  28
ATOM     27  C   LIG    1       -6.550  -1.435   0.785  0.00  0.00    +0.132 A 
ATOM     28  C   LIG    1       -5.151  -1.532   0.947  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -4.571  -2.814   1.043  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1       -5.344  -3.971   0.967  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.718  -3.867   0.797  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.318  -2.609   0.710  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -8.488  -0.057   0.484  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -7.096  -0.178   0.738  0.00  0.00    -0.494 OA
ENDBRANCH  27  34
ENDBRANCH  21  28
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 11