@MOLECULE 4-{2,6-dimethyl-4-[(e)-2-(2-thienyl)vinyl]phenoxy}-4-oxobutanoic acid 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.2236 -1.5931 0.2641 S.2 1 UNL111111111 0.2130 2 O 2.5200 0.6243 -0.7623 O.3 1 UNL111111111 -0.4011 3 O 2.8155 -0.7522 1.0090 O.2 1 UNL111111111 -0.4787 4 O 7.8340 -1.0644 1.3240 O.3 1 UNL111111111 -0.5626 5 O 7.5065 -0.0670 -0.6426 O.2 1 UNL111111111 -0.5065 6 C 1.1464 0.6111 -0.5903 C.ar 1 UNL111111111 0.1376 7 C 0.4054 -0.4816 -1.0454 C.ar 1 UNL111111111 0.0161 8 C 0.5591 1.7633 -0.0593 C.ar 1 UNL111111111 0.0147 9 C -1.6007 0.7302 -0.4287 C.ar 1 UNL111111111 0.0088 10 C -0.9849 -0.4071 -0.9581 C.ar 1 UNL111111111 -0.1876 11 C -0.8322 1.8150 0.0076 C.ar 1 UNL111111111 -0.1902 12 C 1.0846 -1.6870 -1.5898 C.3 1 UNL111111111 -0.4475 13 C 1.4021 2.8886 0.4253 C.3 1 UNL111111111 -0.4423 14 C -3.0572 0.8024 -0.3210 C.2 1 UNL111111111 -0.1395 15 C 4.7201 0.0859 -0.2466 C.3 1 UNL111111111 -0.3369 16 C 3.2768 -0.0964 0.1169 C.2 1 UNL111111111 0.6020 17 C 5.6034 -0.6239 0.7737 C.3 1 UNL111111111 -0.3309 18 C -3.8002 -0.2147 0.1482 C.2 1 UNL111111111 -0.1433 19 C -5.2331 -0.1443 0.2651 C.ar 1 UNL111111111 -0.1251 20 C 7.0367 -0.5280 0.3639 C.2 1 UNL111111111 0.6442 21 C -6.0316 0.9624 0.3847 C.ar 1 UNL111111111 -0.1851 22 C -7.4294 0.6537 0.4712 C.ar 1 UNL111111111 -0.1610 23 C -7.6932 -0.6837 0.4186 C.ar 1 UNL111111111 -0.2844 24 H -1.5944 -1.2394 -1.3065 H 1 UNL111111111 0.1657 25 H -1.3227 2.6971 0.4152 H 1 UNL111111111 0.1641 26 H 1.8661 -1.4193 -2.3169 H 1 UNL111111111 0.1629 27 H 1.5714 -2.2570 -0.7794 H 1 UNL111111111 0.1726 28 H 0.3919 -2.3726 -2.0961 H 1 UNL111111111 0.1583 29 H 2.2527 3.0791 -0.2474 H 1 UNL111111111 0.1657 30 H 0.8414 3.8292 0.5119 H 1 UNL111111111 0.1577 31 H 1.8191 2.6647 1.4203 H 1 UNL111111111 0.1643 32 H 4.9079 -0.2969 -1.2776 H 1 UNL111111111 0.1980 33 H 4.9717 1.1688 -0.3146 H 1 UNL111111111 0.1932 34 H -3.5057 1.7447 -0.6409 H 1 UNL111111111 0.1603 35 H 5.3075 -1.6950 0.8870 H 1 UNL111111111 0.2002 36 H 5.4598 -0.2024 1.7962 H 1 UNL111111111 0.1970 37 H -3.3227 -1.1467 0.4714 H 1 UNL111111111 0.1670 38 H -5.6704 1.9788 0.4223 H 1 UNL111111111 0.1642 39 H -8.1766 1.4271 0.5682 H 1 UNL111111111 0.1617 40 H -8.6557 -1.1600 0.4627 H 1 UNL111111111 0.1756 41 H 8.7977 -1.0353 1.1034 H 1 UNL111111111 0.3580 @BOND 1 1 19 ar 2 1 23 ar 3 2 6 1 4 2 16 1 5 3 16 2 6 4 20 1 7 4 41 1 8 5 20 2 9 6 7 ar 10 6 8 ar 11 7 10 ar 12 7 12 1 13 8 11 ar 14 8 13 1 15 9 10 ar 16 9 11 ar 17 9 14 1 18 10 24 1 19 11 25 1 20 12 26 1 21 12 27 1 22 12 28 1 23 13 29 1 24 13 30 1 25 13 31 1 26 14 18 2 27 14 34 1 28 15 16 1 29 15 17 1 30 15 32 1 31 15 33 1 32 17 20 1 33 17 35 1 34 17 36 1 35 18 19 1 36 18 37 1 37 19 21 ar 38 21 22 ar 39 21 38 1 40 22 23 ar 41 22 39 1 42 23 40 1