REMARK  Name = BDB063672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.098   0.593  -1.933  0.00  0.00    -0.218 N 
ATOM      2  C   LIG    1       -0.711  -0.409  -1.438  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -1.850   0.232  -0.934  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -2.873  -0.556  -0.364  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -2.746  -1.949  -0.301  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.603  -2.560  -0.806  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -1.688   1.645  -1.122  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1       -0.572  -1.806  -1.381  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -0.460   1.829  -1.726  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1        1.694   0.377  -2.494  0.00  0.00    +0.084 S 
ATOM     11  O   LIG    1        2.115   1.656  -3.033  0.00  0.00    -0.148 OA
ATOM     12  O   LIG    1        1.676  -0.829  -3.299  0.00  0.00    -0.148 OA
BRANCH  10  16
ATOM     13  C   LIG    1        4.079  -0.392   1.323  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        3.942  -1.403   0.368  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        3.216  -1.170  -0.805  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.620   0.076  -1.013  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.762   1.098  -0.073  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.488   0.855   1.094  0.00  0.00    +0.047 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.409  -1.726   2.776  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.757  -0.490   2.506  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   5  21
ATOM     21  O   LIG    1       -3.809  -2.586   0.280  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -3.775  -4.007   0.303  0.00  0.00    +0.277 C 
ENDBRANCH   5  21
BRANCH   7  23
ATOM     23  C   LIG    1       -2.655   2.721  -0.731  0.00  0.00    +0.048 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.541   3.077   0.749  0.00  0.00    +0.125 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.513   4.165   1.124  0.00  0.00    +0.305 C 
ATOM     26  O   LIG    1       -4.259   4.744   0.351  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.475   4.456   2.446  0.00  0.00    -0.481 OA
ATOM     28  H   LIG    1       -2.837   3.918   2.952  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 8