REMARK  Name = BDB006851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.088  -0.810  -0.821  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.725  -0.929   0.404  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1       -1.982  -0.389   0.733  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -2.341  -0.763   2.031  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1       -3.543  -0.362   2.596  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -4.397   0.438   1.837  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -4.032   0.814   0.533  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1       -1.303  -1.647   2.644  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1       -2.815   0.410  -0.030  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -0.171  -1.566   1.613  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -0.594  -0.275  -1.813  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  12
ATOM     12  S   LIG    1       -5.122   1.834  -0.428  0.00  0.00    -0.006 S 
ATOM     13  O   LIG    1       -6.341   2.018   0.338  0.00  0.00    -0.170 OA
ATOM     14  O   LIG    1       -4.350   2.975  -0.881  0.00  0.00    -0.170 OA
ATOM     15  C   LIG    1       -5.529   0.829  -1.833  0.00  0.00    +0.200 C 
ENDBRANCH   7  12
BRANCH   1  16
ATOM     16  C   LIG    1        1.315  -1.427  -0.940  0.00  0.00    +0.181 C 
BRANCH  16  23
ATOM     17  C   LIG    1        4.038   2.324  -1.739  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1        3.874   0.860  -1.329  0.00  0.00    +0.065 C 
ATOM     19  N   LIG    1        5.079   0.415  -0.598  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1        5.496   1.195  -0.092  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        4.774  -0.657   0.362  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1        3.559  -1.514  -0.043  0.00  0.00    +0.100 C 
ATOM     23  N   LIG    1        2.304  -0.734  -0.088  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1        2.554   0.658  -0.535  0.00  0.00    +0.103 C 
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 3