REMARK  Name = BDB053349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.368   1.998  -0.479  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -0.688   0.851  -0.203  0.00  0.00    +0.272 A 
ATOM      3  N   LIG    1        0.114  -0.275   0.047  0.00  0.00    -0.244 N 
ATOM      4  S   LIG    1       -0.820  -1.697   0.400  0.00  0.00    +0.017 S 
ATOM      5  C   LIG    1       -2.336  -0.804   0.220  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.553  -1.358   0.374  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.599  -0.516   0.196  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.470   0.836  -0.125  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.192   1.370  -0.276  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.114   0.517  -0.096  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.546  -0.307   0.026  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        2.305   0.840  -0.259  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.708   0.810  -0.279  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        4.381  -0.374  -0.013  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        6.099  -0.413  -0.038  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.663  -1.527   0.272  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        2.262  -1.492   0.291  0.00  0.00    +0.028 A 
ENDBRANCH   3  11
TORSDOF 1