@MOLECULE 3-[5-(3-nitrophenyl)-2-thienyl]propanoic acid 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.4193 0.2883 -0.0533 C.ar 1 UNL1111 -0.1076 2 C 1.7471 -0.9368 0.0344 C.ar 1 UNL1111 0.0079 3 C 0.3137 -1.0321 -0.1325 C.ar 1 UNL1111 -0.1788 4 C -3.4922 -0.0390 -0.7751 C.3 1 UNL1111 -0.2553 5 C -1.8518 -1.9303 -0.3053 C.ar 1 UNL1111 -0.2022 6 C 2.4985 -2.0979 0.2856 C.ar 1 UNL1111 -0.1080 7 C 3.8055 0.3248 0.1066 C.ar 1 UNL1111 -0.0669 8 N 4.4926 1.6068 0.0124 N.pl3 1 UNL1111 0.6197 9 O 3.8226 2.6091 -0.1759 O.2 1 UNL1111 -0.3953 10 O 5.7076 1.6178 0.1271 O.2 1 UNL1111 -0.3976 11 S -0.7098 0.3543 -0.4484 S.2 1 UNL1111 0.2403 12 C -2.1565 -0.6146 -0.5195 C.ar 1 UNL1111 -0.1094 13 C -4.2040 0.2750 0.5481 C.3 1 UNL1111 -0.3390 14 C -5.6058 0.7181 0.2803 C.2 1 UNL1111 0.6443 15 O -6.2416 0.9847 1.4521 O.3 1 UNL1111 -0.5662 16 O -6.1736 0.8473 -0.7712 O.2 1 UNL1111 -0.5037 17 C -0.4587 -2.1656 -0.0861 C.ar 1 UNL1111 -0.1552 18 C 3.8804 -2.0446 0.4430 C.ar 1 UNL1111 -0.1554 19 C 4.5516 -0.8287 0.3540 C.ar 1 UNL1111 -0.0922 20 H 1.8863 1.2260 -0.2460 H 1 UNL1111 0.1932 21 H -3.4516 0.8761 -1.4092 H 1 UNL1111 0.1729 22 H -4.1123 -0.7470 -1.3771 H 1 UNL1111 0.1767 23 H -2.5713 -2.7359 -0.3010 H 1 UNL1111 0.1687 24 H 1.9932 -3.0625 0.3586 H 1 UNL1111 0.1600 25 H -4.2070 -0.6137 1.2188 H 1 UNL1111 0.1882 26 H -3.6588 1.0579 1.1213 H 1 UNL1111 0.1894 27 H -0.0830 -3.1627 0.0938 H 1 UNL1111 0.1613 28 H 4.4405 -2.9602 0.6364 H 1 UNL1111 0.1656 29 H 5.6377 -0.7747 0.4744 H 1 UNL1111 0.1867 30 H -7.1780 1.2814 1.3382 H 1 UNL1111 0.3580 @BOND 1 1 2 ar 2 1 7 ar 3 1 20 1 4 2 3 1 5 2 6 ar 6 3 11 ar 7 3 17 ar 8 4 12 1 9 4 13 1 10 4 21 1 11 4 22 1 12 5 12 ar 13 5 17 ar 14 5 23 1 15 6 18 ar 16 6 24 1 17 7 8 1 18 7 19 ar 19 8 9 2 20 8 10 2 21 11 12 ar 22 13 14 1 23 13 25 1 24 13 26 1 25 14 15 1 26 14 16 2 27 15 30 1 28 17 27 1 29 18 19 ar 30 18 28 1 31 19 29 1