REMARK  Name = BDB028797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.605   0.833   2.226  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.897   0.222   1.072  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -2.764  -1.273   0.788  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -2.453  -2.113   1.631  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -3.116  -1.681  -0.479  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.062  -2.677  -0.643  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -3.830  -0.970  -1.410  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.335  -1.525  -2.381  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.040   0.496  -1.120  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.938   1.036  -0.221  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        2.283   0.145  -0.213  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        1.640   1.394  -0.159  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        0.469   1.605   0.585  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -0.118   0.557   1.288  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        0.500  -0.688   1.266  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        1.670  -0.888   0.517  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  C   LIG    1        4.223   1.096  -1.398  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1        3.437  -0.064  -0.979  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1        4.192  -1.303  -0.802  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 3