REMARK  Name = BDB028780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.081  -0.211  -1.710  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.209   0.028  -0.429  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -1.431   1.514  -0.147  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -0.539   2.359  -0.111  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.721   1.885   0.164  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -2.855   2.862   0.385  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -3.814   1.076   0.346  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.875   1.526   0.767  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.610  -0.394   0.078  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.499  -0.614  -0.938  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        3.796  -0.566   0.956  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        3.403   0.682   0.464  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.271   0.791  -0.348  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        1.518  -0.343  -0.666  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.918  -1.592  -0.181  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        3.052  -1.704   0.630  0.00  0.00    +0.020 A 
BRANCH  11  18
ATOM     17  N   LIG    1        5.896  -0.777   2.466  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        4.958  -0.680   1.789  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 3