forcefield mm+ sys 0 0 1 view 40 0.18715 55 15 0.2458722 -0.8921838 0.3788864 0.9629003 0.1799647 -0.2010862 0.1112197 0.4142714 0.9033324 0.015389 0.70613 -54.818 seed -1110 mol 1 atom 1 - C C3 - 0 -0.4118924 1.453656 0.04617746 3 2 s 6 d 7 s atom 2 - C C3 - 0 -0.0854893 2.755968 -0.05725819 3 1 s 3 d 11 s atom 3 - C C3 - 0 1.188929 3.119224 -0.2632139 3 2 d 4 s 12 s atom 4 - C C3 - 0 2.135197 2.175986 -0.358493 3 3 s 5 d 13 s atom 5 - C C3 - 0 1.797559 0.8823565 -0.2530545 3 4 d 6 s 14 s atom 6 - C C3 - 0 0.5240566 0.485641 -0.06136338 3 5 s 1 d 15 s atom 7 - C CO - 0 -1.715772 1.115117 0.2559347 3 1 s 8 d 9 s atom 8 - O O1 - 0 -2.578407 1.957907 0.3590071 1 7 d atom 9 - O O2 - 0 -2.136205 -0.1485903 0.3661465 2 7 s 10 s atom 10 - H HX - 0 -3.096507 -0.1046619 0.509635 1 9 s atom 11 - H H - 0 -0.8360627 3.56162 0.02231964 1 2 s atom 12 - H H - 0 1.459908 4.186366 -0.3459801 1 3 s atom 13 - H H - 0 3.189173 2.465053 -0.5151901 1 4 s atom 14 - H H - 0 2.605222 0.133896 -0.3160437 1 5 s atom 15 - O O2 - 0 0.2018775 -0.8370035 0.05286648 2 6 s 16 s atom 16 - C CO - 0 0.7451262 -1.845114 -0.6509104 3 15 s 17 s 18 d atom 17 - C C4 - 0 0.3329852 -3.166735 -0.0419274 4 16 s 19 s 20 s 21 s atom 18 - O O1 - 0 1.43036 -1.711501 -1.637567 1 16 d atom 19 - H H - 0 -0.7762993 -3.269076 -0.05004384 1 17 s atom 20 - H H - 0 0.7643865 -4.01571 -0.619613 1 17 s atom 21 - H H - 0 0.6981787 -3.240015 1.00791 1 17 s endmol 1