REMARK  Name = BDB034860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.682  -3.273   1.405  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.903  -2.289   0.707  0.00  0.00    +0.271 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1       -0.067  -1.591   0.043  0.00  0.00    -0.155 NA
ATOM      4  C   LIG    1       -0.791  -0.766   0.723  0.00  0.00    +0.150 C 
ATOM      5  N   LIG    1       -1.833  -0.034   0.206  0.00  0.00    -0.305 N 
ATOM      6  C   LIG    1       -2.289   1.080   1.046  0.00  0.00    +0.099 C 
ATOM      7  C   LIG    1       -3.754   1.444   0.729  0.00  0.00    +0.104 C 
ATOM      8  N   LIG    1       -3.979   1.700  -0.709  0.00  0.00    -0.313 NA
ATOM      9  H   LIG    1       -3.397   2.487  -0.997  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -3.559   0.506  -1.477  0.00  0.00    +0.100 C 
ATOM     11  C   LIG    1       -2.104   0.622   2.490  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1       -2.095   0.077  -1.225  0.00  0.00    +0.122 C 
ATOM     13  S   LIG    1       -0.578  -0.367   2.435  0.00  0.00    -0.091 S 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1        2.257  -1.780   0.472  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        2.734  -0.768  -0.429  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        4.109  -0.664  -0.236  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        4.971   0.160  -0.860  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        4.375   0.951  -1.778  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        3.022   0.954  -2.084  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1        4.475  -1.565   0.721  0.00  0.00    -0.345 N 
ATOM     21  H   LIG    1        5.425  -1.688   1.039  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        2.173   0.081  -1.403  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        3.374  -2.250   1.154  0.00  0.00    +0.098 A 
ENDBRANCH   2  14
TORSDOF 2