COMPND aspirin.pdb = =20 HETATM 1 C -1.892 -0.992 -1.578 =20 HETATM 2 C -1.370 -2.149 -0.990 =20 HETATM 3 C -0.079 -2.146 -0.464 =20 HETATM 4 C 0.708 -0.986 -0.521 =20 HETATM 5 C 0.203 0.156 -1.196 =20 HETATM 6 C -1.108 0.161 -1.654 =20 HETATM 7 C 2.085 -1.030 0.104 =20 HETATM 8 O 2.533 -2.034 0.636 =20 HETATM 9 O 2.879 0.025 0.112 =20 HETATM 10 O 0.753 1.334 -1.084 =20 HETATM 11 C 0.668 2.025 0.034 =20 HETATM 12 O 1.300 3.063 0.152 =20 HETATM 13 C -0.243 1.577 1.144 =20 HETATM 14 H -2.879 -0.962 -1.985 =20 HETATM 15 H -1.988 -3.037 -0.955 =20 HETATM 16 H 0.300 -3.063 -0.005 =20 HETATM 17 H -1.489 1.084 -2.059 =20 HETATM 18 H 2.566 0.782 -0.326 =20 HETATM 19 H -0.761 0.636 0.933 =20 HETATM 20 H -1.009 2.349 1.290 =20 HETATM 21 H 0.346 1.435 2.059 =20 CONECT 1 2 6 14 =20 CONECT 2 1 3 15 =20 CONECT 3 2 4 16 =20 CONECT 4 3 5 7 =20 CONECT 5 4 6 10 =20 CONECT 6 1 5 17 =20 CONECT 7 4 8 9 =20 CONECT 8 7 =20 CONECT 9 7 18 =20 CONECT 10 5 11 =20 CONECT 11 10 12 13 =20 CONECT 12 11 =20 CONECT 13 11 19 20 21 =20 CONECT 14 1 =20 CONECT 15 2 =20 CONECT 16 3 =20 CONECT 17 6 =20 CONECT 18 9 =20 CONECT 19 13 =20 CONECT 20 13 =20 CONECT 21 13 =20 END =20