REMARK  Name = BDB057395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.179   0.842   0.448  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        2.919   0.223   0.028  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        2.937  -0.869  -0.830  0.00  0.00    +0.146 C 
ATOM      4  S   LIG    1        4.294  -1.612  -1.481  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        1.727  -1.395  -1.183  0.00  0.00    -0.263 N 
ATOM      6  H   LIG    1        1.738  -2.188  -1.813  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1        0.481  -0.986  -0.802  0.00  0.00    +0.255 C 
ATOM      8  O   LIG    1       -0.510  -1.571  -1.220  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.466   0.171   0.115  0.00  0.00    +0.100 C 
ATOM     10  C   LIG    1       -0.664   0.725   0.605  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        1.752   0.798   0.533  0.00  0.00    +0.257 C 
ATOM     12  O   LIG    1        1.756   1.773   1.286  0.00  0.00    -0.269 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -2.050   0.314   0.359  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1       -2.577  -0.834   0.948  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.904  -1.148   0.699  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -4.723  -0.400  -0.071  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -4.186   0.706  -0.628  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -2.872   1.103  -0.444  0.00  0.00    +0.027 A 
ENDBRANCH  10  13
TORSDOF 1