REMARK  Name = BDB049977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.199  -1.899   0.365  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.419  -1.545  -0.906  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.900  -1.129  -0.454  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.844  -0.675  -1.364  0.00  0.00    +0.255 C 
ATOM      5  O   LIG    1        1.585  -0.681  -2.569  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1        1.097  -1.458   0.952  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.076  -2.368   1.301  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.654   1.817   3.530  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -2.224   1.047   2.376  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.513  -0.012   1.926  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.001  -0.718   0.880  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.203  -0.383   0.260  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -3.933   0.712   0.725  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.431   1.436   1.807  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.191   1.097   0.109  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.514   0.922  -1.222  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -6.770   1.435  -1.383  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -7.537   1.490  -2.603  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -7.293   1.936  -0.250  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -6.331   1.733   0.654  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.116  -0.213  -0.848  0.00  0.00    +0.094 A 
ATOM     22  S   LIG    1        4.568  -0.588  -1.679  0.00  0.00    -0.067 S 
ATOM     23  C   LIG    1        5.472   0.276  -0.494  0.00  0.00    +0.082 A 
ATOM     24  N   LIG    1        4.752   0.834   0.458  0.00  0.00    -0.251 NA
ATOM     25  C   LIG    1        3.411   0.577   0.243  0.00  0.00    +0.132 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.977   0.380  -0.556  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        7.651  -0.982  -0.385  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        7.457   1.083  -1.826  0.00  0.00    +0.014 C 
ENDBRANCH  23  26
ENDBRANCH   4  21
TORSDOF 4