REMARK  Name = LIG001183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.127   0.117   0.058  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        0.569   1.016   0.775  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1        1.856   0.800   0.541  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1        1.966  -0.251  -0.326  0.00  0.00    +0.114 A 
ATOM      5  C   LIG    1        0.705  -0.688  -0.665  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.277   0.911   1.737  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -4.145   0.768   1.286  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.260  -0.113   1.855  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.616  -0.632   2.647  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.104  -0.607   1.293  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -1.609  -1.646   1.726  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -1.579   0.120   0.067  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -2.167   1.531  -0.034  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -3.684   1.461   0.026  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        3.261  -0.746  -0.803  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        4.527  -0.548  -0.174  0.00  0.00    +0.034 A 
ATOM     17 BR   LIG    1        4.825   0.372   1.455  0.00  0.00    -0.049 Br
ATOM     18  C   LIG    1        5.568  -1.127  -0.864  0.00  0.00    +0.061 A 
ATOM     19  S   LIG    1        5.031  -1.925  -2.276  0.00  0.00    -0.103 S 
ATOM     20  C   LIG    1        3.405  -1.496  -1.958  0.00  0.00    +0.056 A 
ENDBRANCH   4  15
TORSDOF 2