HEADER REMARK s-trans aspirin, conformer 2 HETATM 1 C 1 0.000 0.000 0.000 HETATM 2 C 1 0.000 0.000 1.381 HETATM 3 C 1 1.193 0.000 -0.721 HETATM 4 H 1 -0.929 -0.001 -0.534 HETATM 5 C 1 1.166 -0.010 -2.209 HETATM 6 C 1 1.205 -0.003 2.064 HETATM 7 C 1 2.394 0.004 -0.013 HETATM 8 H 1 -0.930 0.001 1.919 HETATM 9 O 1 2.113 0.024 -2.929 HETATM 10 O 1 -0.070 -0.071 -2.700 HETATM 11 O 1 3.603 -0.064 -0.647 HETATM 12 C 1 2.400 -0.001 1.368 HETATM 13 H 1 1.218 -0.005 3.139 HETATM 14 C 1 4.107 1.047 -1.227 HETATM 15 H 1 -0.001 -0.063 -3.649 HETATM 16 H 1 3.344 -0.005 1.879 HETATM 17 O 1 3.642 2.121 -1.071 HETATM 18 C 1 5.315 0.707 -2.046 HETATM 19 H 1 5.785 1.617 -2.389 HETATM 20 H 1 4.997 0.111 -2.892 HETATM 21 H 1 6.013 0.120 -1.461 CONECT 1 2 3 4 CONECT 2 1 6 8 CONECT 3 1 5 7 CONECT 4 1 CONECT 5 3 9 10 CONECT 6 2 12 13 CONECT 7 3 11 12 CONECT 8 2 CONECT 9 5 CONECT 10 5 15 CONECT 11 7 14 CONECT 12 6 7 16 CONECT 13 6 CONECT 14 11 17 18 CONECT 15 10 CONECT 16 12 CONECT 17 14 CONECT 18 14 19 20 21 CONECT 19 18 CONECT 20 18 CONECT 21 18 END