REMARK  Name = BDB003618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.264   1.098   0.745  0.00  0.00    +0.140 A 
ATOM      2  S   LIG    1        0.279   2.874   0.600  0.00  0.00    -0.028 S 
ATOM      3  C   LIG    1       -1.393   2.748   0.285  0.00  0.00    +0.218 A 
ATOM      4  N   LIG    1       -1.789   1.453   0.310  0.00  0.00    -0.186 N 
ATOM      5  C   LIG    1       -3.142   1.471   0.057  0.00  0.00    +0.186 A 
ATOM      6  N   LIG    1       -3.498   2.750  -0.087  0.00  0.00    -0.126 NA
ATOM      7  N   LIG    1       -2.380   3.561   0.057  0.00  0.00    -0.120 NA
ATOM      8  N   LIG    1       -0.873   0.475   0.577  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.046   0.320  -0.022  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -3.599  -1.002  -0.075  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -4.536  -2.022  -0.149  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -5.869  -1.820  -0.176  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -6.285  -0.538  -0.133  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.427   0.546  -0.059  0.00  0.00    +0.031 A 
ENDBRANCH   5   9
BRANCH   1  15
ATOM     15  C   LIG    1        1.567   0.405   1.043  0.00  0.00    +0.293 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.274   0.323  -0.188  0.00  0.00    -0.484 OA
BRANCH  16  19
ATOM     17 CL   LIG    1        3.531   0.410  -2.831  0.00  0.00    -0.080 Cl
ATOM     18  C   LIG    1        4.216  -0.268  -1.394  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        3.518  -0.251  -0.175  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        4.122  -0.816   0.953  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.398  -1.382   0.865  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        6.083  -1.391  -0.349  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.491  -0.833  -1.480  0.00  0.00    +0.023 A 
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4