REMARK  Name = BDB020224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.775   0.562   0.847  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        4.373   0.105   0.643  0.00  0.00    +0.076 A 
ATOM      3  S   LIG    1        4.053  -1.546   0.301  0.00  0.00    -0.072 S 
ATOM      4  C   LIG    1        2.367  -1.204   0.230  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.171   0.155   0.477  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.854   0.662   0.471  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -0.241  -0.187   0.223  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -0.002  -1.544  -0.029  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        1.295  -2.072  -0.026  0.00  0.00    +0.017 A 
ATOM     10  N   LIG    1        3.322   0.891   0.705  0.00  0.00    -0.244 NA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.645   0.396   0.195  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -2.656  -0.382   1.037  0.00  0.00    +0.227 C 
ATOM     13  O   LIG    1       -2.369  -1.006   2.056  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1       -3.970  -0.305   0.632  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1       -4.636  -0.801   1.208  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -4.492   0.381  -0.435  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.701   0.398  -0.647  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.513   1.157  -1.279  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1       -2.137   0.512  -1.252  0.00  0.00    +0.026 C 
ENDBRANCH   7  11
TORSDOF 1