@MOLECULE (2r,3s)-4-methylene-5-oxo-2-pentyltetrahydro-3-furancarboxylic acid 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2654 -1.2279 0.6454 O.3 1 UNL1111111111 -0.4035 2 O 1.4759 2.5608 0.5744 O.3 1 UNL1111111111 -0.5616 3 O 1.6187 -2.9805 0.4242 O.2 1 UNL1111111111 -0.4217 4 O 3.4962 1.7868 0.0384 O.2 1 UNL1111111111 -0.4874 5 C 0.2202 0.1672 0.3076 C.3 1 UNL1111111111 0.1393 6 C -1.0508 0.3927 -0.5042 C.3 1 UNL1111111111 -0.3122 7 C 1.5173 0.4741 -0.5036 C.3 1 UNL1111111111 -0.2501 8 C -2.2858 0.0748 0.3479 C.3 1 UNL1111111111 -0.2619 9 C -3.5696 0.2754 -0.4653 C.3 1 UNL1111111111 -0.2736 10 C 2.2883 -0.8076 -0.4496 C.2 1 UNL1111111111 -0.1620 11 C 1.4306 -1.8156 0.2217 C.2 1 UNL1111111111 0.5839 12 C -4.8047 -0.0479 0.3863 C.3 1 UNL1111111111 -0.2503 13 C 2.3067 1.6231 0.0525 C.2 1 UNL1111111111 0.6379 14 C 3.5186 -1.0461 -0.8936 C.2 1 UNL1111111111 -0.1714 15 C -6.0890 0.1505 -0.4187 C.3 1 UNL1111111111 -0.4410 16 H 0.1966 0.6909 1.2886 H 1 UNL1111111111 0.1613 17 H -1.0489 -0.2453 -1.4097 H 1 UNL1111111111 0.1544 18 H -1.0905 1.4425 -0.8556 H 1 UNL1111111111 0.1539 19 H 1.2565 0.7284 -1.5669 H 1 UNL1111111111 0.1982 20 H -2.2270 -0.9703 0.7161 H 1 UNL1111111111 0.1581 21 H -2.3038 0.7127 1.2513 H 1 UNL1111111111 0.1390 22 H -3.6291 1.3153 -0.8359 H 1 UNL1111111111 0.1338 23 H -3.5553 -0.3678 -1.3651 H 1 UNL1111111111 0.1380 24 H -4.7473 -1.0902 0.7548 H 1 UNL1111111111 0.1384 25 H -4.8215 0.5917 1.2887 H 1 UNL1111111111 0.1338 26 H 4.1436 -0.2908 -1.3595 H 1 UNL1111111111 0.1692 27 H 3.9988 -2.0166 -0.8062 H 1 UNL1111111111 0.1694 28 H -6.1886 1.1838 -0.7683 H 1 UNL1111111111 0.1408 29 H -6.9746 -0.0792 0.1845 H 1 UNL1111111111 0.1419 30 H -6.1143 -0.5001 -1.3000 H 1 UNL1111111111 0.1432 31 H 1.9479 3.3491 0.9446 H 1 UNL1111111111 0.3622 @BOND 1 1 5 1 2 1 11 1 3 2 13 1 4 2 31 1 5 3 11 2 6 4 13 2 7 5 6 1 8 5 7 1 9 5 16 1 10 6 8 1 11 6 17 1 12 6 18 1 13 7 10 1 14 7 13 1 15 7 19 1 16 8 9 1 17 8 20 1 18 8 21 1 19 9 12 1 20 9 22 1 21 9 23 1 22 10 11 1 23 10 14 2 24 12 15 1 25 12 24 1 26 12 25 1 27 14 26 1 28 14 27 1 29 15 28 1 30 15 29 1 31 15 30 1