REMARK  Name = BDB013661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.685   0.953  -0.686  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -1.970   1.404  -0.112  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -3.054   0.542  -0.261  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.312   0.884   0.259  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.486   2.094   0.929  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.407   2.961   1.080  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.882  -0.741  -0.971  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -3.838  -1.506  -1.071  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.617  -0.994  -1.488  0.00  0.00    -0.231 N 
ATOM     10  C   LIG    1       -1.346  -2.239  -2.184  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -2.153   2.621   0.564  0.00  0.00    +0.011 A 
ATOM     12  N   LIG    1       -0.540  -0.162  -1.328  0.00  0.00    -0.162 NA
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        0.728   1.988  -0.501  0.00  0.00    -0.102 S 
BRANCH  13  14
ATOM     14  C   LIG    1        2.095   0.797  -0.715  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.238  -0.139   0.497  0.00  0.00    +0.095 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.232  -2.142   1.400  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        3.337  -1.120   0.354  0.00  0.00    -0.308 NA
ATOM     18  C   LIG    1        4.654  -0.483   0.419  0.00  0.00    +0.104 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4