REMARK  Name = BDB002874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.416  -1.554   0.766  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        1.653  -0.575  -0.451  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.558   0.189  -0.877  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.752  -0.124  -0.489  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -1.010  -1.228   0.329  0.00  0.00    -0.032 A 
ATOM      6  C   LIG    1        0.069  -2.006   0.755  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        1.374  -1.684   0.365  0.00  0.00    +0.023 A 
BRANCH   2  12
ATOM      8  C   LIG    1        7.002   0.887  -1.656  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1        5.605   0.948  -1.233  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1        5.355   0.002  -0.123  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        3.874  -0.022   0.329  0.00  0.00    +0.120 C 
ATOM     12  N   LIG    1        2.981  -0.307  -0.821  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1        3.214   0.624  -1.946  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1        4.705   0.614  -2.359  0.00  0.00    +0.103 C 
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  N   LIG    1       -2.662  -1.064   2.128  0.00  0.00    -0.190 NA
ATOM     16  H   LIG    1       -1.977  -1.371   2.819  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -4.223  -1.215   2.719  0.00  0.00    +0.034 S 
ATOM     18  O   LIG    1       -4.987  -2.050   1.818  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1       -4.054  -1.591   4.108  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -4.860   0.468   2.697  0.00  0.00    +0.220 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.767   1.081   1.324  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -3.767   2.023   1.037  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.683   2.606  -0.230  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.596   2.247  -1.219  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -4.482   2.955  -2.783  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -5.595   1.315  -0.950  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.684   0.738   0.319  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6