@MOLECULE 5-(2,5-dimethylphenoxy)-2-ethylpentanoic acid 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8079 -0.2198 0.3141 O.3 1 UNL1111111111 0.0433 2 O 3.6255 0.3849 1.8771 O.3 1 UNL1111111111 -0.4554 3 O 3.2511 1.7568 0.1666 O.2 1 UNL1111111111 -0.3806 4 C 3.3154 -0.6676 -0.2045 C.3 1 UNL1111111111 0.0041 5 C 1.8376 -0.9769 -0.4931 C.3 1 UNL1111111111 -0.6236 6 C 1.1118 -1.4373 0.7750 C.3 1 UNL1111111111 -0.1736 7 C 4.1166 -0.5164 -1.5077 C.3 1 UNL1111111111 -0.3641 8 C -0.3910 -1.5712 0.5232 C.3 1 UNL1111111111 -0.4966 9 C 3.3827 0.6288 0.5588 C.2 1 UNL1111111111 0.3337 10 C 5.6157 -0.4269 -1.2310 C.3 1 UNL1111111111 -0.6799 11 C -2.1288 0.0026 0.0877 C.ar 1 UNL1111111111 -0.0478 12 C -2.4144 1.3619 -0.1671 C.ar 1 UNL1111111111 0.2317 13 C -3.1242 -0.9671 0.1048 C.ar 1 UNL1111111111 -0.4896 14 C -4.4493 -0.5779 -0.1290 C.ar 1 UNL1111111111 0.4643 15 C -3.7359 1.7188 -0.3938 C.ar 1 UNL1111111111 -0.2545 16 C -4.7516 0.7583 -0.3748 C.ar 1 UNL1111111111 -0.4592 17 C -1.3076 2.3548 -0.1797 C.3 1 UNL1111111111 -0.9769 18 C -5.5293 -1.6070 -0.0958 C.3 1 UNL1111111111 -1.0049 19 H 3.7572 -1.4942 0.4091 H 1 UNL1111111111 0.2344 20 H 1.7617 -1.7543 -1.2770 H 1 UNL1111111111 0.2363 21 H 1.3324 -0.0806 -0.9148 H 1 UNL1111111111 0.2338 22 H 1.5183 -2.4016 1.1324 H 1 UNL1111111111 0.1794 23 H 1.2845 -0.7115 1.5990 H 1 UNL1111111111 0.1765 24 H 3.9079 -1.3751 -2.1747 H 1 UNL1111111111 0.1844 25 H 3.7768 0.3857 -2.0587 H 1 UNL1111111111 0.1927 26 H -0.6208 -2.1670 -0.3759 H 1 UNL1111111111 0.2421 27 H -0.9180 -1.9876 1.3991 H 1 UNL1111111111 0.2306 28 H 5.9827 -1.3024 -0.6842 H 1 UNL1111111111 0.2190 29 H 5.8642 0.4619 -0.6374 H 1 UNL1111111111 0.2105 30 H 6.1869 -0.3597 -2.1644 H 1 UNL1111111111 0.2081 31 H -2.8993 -2.0085 0.2971 H 1 UNL1111111111 0.2549 32 H -3.9888 2.7604 -0.5892 H 1 UNL1111111111 0.2140 33 H -5.7787 1.0628 -0.5526 H 1 UNL1111111111 0.2347 34 H 3.6708 1.1995 2.4321 H 1 UNL1111111111 0.3483 35 H -0.8326 2.4303 0.8117 H 1 UNL1111111111 0.3038 36 H -0.5105 2.0569 -0.8800 H 1 UNL1111111111 0.2929 37 H -1.6378 3.3606 -0.4659 H 1 UNL1111111111 0.2620 38 H -5.2328 -2.5288 -0.6146 H 1 UNL1111111111 0.2854 39 H -6.4585 -1.2578 -0.5655 H 1 UNL1111111111 0.2768 40 H -5.7738 -1.8804 0.9421 H 1 UNL1111111111 0.3091 @BOND 1 1 8 1 2 1 11 1 3 2 9 1 4 2 34 1 5 3 9 2 6 4 5 1 7 4 7 1 8 4 9 1 9 4 19 1 10 5 6 1 11 5 20 1 12 5 21 1 13 6 8 1 14 6 22 1 15 6 23 1 16 7 10 1 17 7 24 1 18 7 25 1 19 8 26 1 20 8 27 1 21 10 28 1 22 10 29 1 23 10 30 1 24 11 12 ar 25 11 13 ar 26 12 15 ar 27 12 17 1 28 13 14 ar 29 13 31 1 30 14 16 ar 31 14 18 1 32 15 16 ar 33 15 32 1 34 16 33 1 35 17 35 1 36 17 36 1 37 17 37 1 38 18 38 1 39 18 39 1 40 18 40 1