REMARK  Name = BDB002519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.390  -0.978   0.502  0.00  0.00    -0.319 N 
ATOM      2  H   LIG    1       -0.152  -0.037   0.223  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.466  -1.689   1.348  0.00  0.00    +0.166 C 
ATOM      4  S   LIG    1        0.035  -3.143   2.085  0.00  0.00    -0.014 S 
BRANCH   3   8
ATOM      5  C   LIG    1        4.418   1.432   0.953  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        3.478   0.360   1.347  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1        2.238   0.078   0.816  0.00  0.00    +0.119 A 
ATOM      8  N   LIG    1        1.720  -1.015   1.498  0.00  0.00    -0.219 N 
ATOM      9  N   LIG    1        2.614  -1.452   2.429  0.00  0.00    -0.173 NA
ATOM     10  C   LIG    1        3.650  -0.621   2.339  0.00  0.00    +0.138 A 
ENDBRANCH   3   8
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1       -1.752  -1.371   0.169  0.00  0.00    +0.138 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.335  -0.425  -0.849  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -2.073  -0.608  -2.216  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -2.585   0.285  -3.160  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.354   1.369  -2.742  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.982   2.471  -3.904  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.614   1.568  -1.387  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.103   0.676  -0.443  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 4