@MOLECULE (2r,3s)-4-methylene-2-octyl-5-oxotetrahydro-3-furancarboxylic acid 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6819 -1.2317 0.6243 O.3 1 UNL1111111111 -0.4037 2 O 2.9247 2.5482 0.5987 O.3 1 UNL1111111111 -0.5615 3 O 3.0229 -2.9946 0.4101 O.2 1 UNL1111111111 -0.4215 4 O 4.9462 1.7642 0.0828 O.2 1 UNL1111111111 -0.4875 5 C 1.6547 0.1666 0.2980 C.3 1 UNL1111111111 0.1385 6 C 0.3977 0.4111 -0.5296 C.3 1 UNL1111111111 -0.3126 7 C -0.8526 0.1045 0.3043 C.3 1 UNL1111111111 -0.2600 8 C 2.9661 0.4676 -0.4919 C.3 1 UNL1111111111 -0.2502 9 C -2.1222 0.3141 -0.5289 C.3 1 UNL1111111111 -0.2731 10 C -3.3715 0.0201 0.3113 C.3 1 UNL1111111111 -0.2717 11 C -4.6441 0.2209 -0.5210 C.3 1 UNL1111111111 -0.2762 12 C 3.7260 -0.8204 -0.4333 C.2 1 UNL1111111111 -0.1620 13 C -5.8932 -0.0671 0.3215 C.3 1 UNL1111111111 -0.2717 14 C 2.8485 -1.8265 0.2146 C.2 1 UNL1111111111 0.5840 15 C 3.7556 1.6081 0.0812 C.2 1 UNL1111111111 0.6380 16 C -7.1681 0.1386 -0.5072 C.3 1 UNL1111111111 -0.2516 17 C 4.9622 -1.0653 -0.8573 C.2 1 UNL1111111111 -0.1715 18 C -8.4145 -0.1538 0.3285 C.3 1 UNL1111111111 -0.4394 19 H 1.6224 0.6823 1.2830 H 1 UNL1111111111 0.1613 20 H 0.3755 1.4627 -0.8770 H 1 UNL1111111111 0.1538 21 H 0.4044 -0.2232 -1.4378 H 1 UNL1111111111 0.1544 22 H -0.8081 -0.9403 0.6753 H 1 UNL1111111111 0.1581 23 H -0.8789 0.7446 1.2059 H 1 UNL1111111111 0.1391 24 H 2.7239 0.7284 -1.5581 H 1 UNL1111111111 0.1981 25 H -2.1046 -0.3416 -1.4197 H 1 UNL1111111111 0.1380 26 H -2.1600 1.3501 -0.9132 H 1 UNL1111111111 0.1337 27 H -3.3322 -1.0158 0.6985 H 1 UNL1111111111 0.1412 28 H -3.3939 0.6758 1.2015 H 1 UNL1111111111 0.1366 29 H -4.6822 1.2539 -0.9132 H 1 UNL1111111111 0.1345 30 H -4.6254 -0.4401 -1.4076 H 1 UNL1111111111 0.1370 31 H -5.8585 -1.1020 0.7101 H 1 UNL1111111111 0.1383 32 H -5.9114 0.5896 1.2110 H 1 UNL1111111111 0.1363 33 H -7.1493 -0.5158 -1.3991 H 1 UNL1111111111 0.1339 34 H -7.2060 1.1749 -0.8924 H 1 UNL1111111111 0.1328 35 H 5.6012 -0.3114 -1.3062 H 1 UNL1111111111 0.1693 36 H 5.4334 -2.0401 -0.7690 H 1 UNL1111111111 0.1694 37 H -8.4744 0.5044 1.2024 H 1 UNL1111111111 0.1423 38 H -9.3286 -0.0078 -0.2573 H 1 UNL1111111111 0.1402 39 H -8.4185 -1.1872 0.6932 H 1 UNL1111111111 0.1431 40 H 3.3974 3.3303 0.9808 H 1 UNL1111111111 0.3622 @BOND 1 1 5 1 2 1 14 1 3 2 15 1 4 2 40 1 5 3 14 2 6 4 15 2 7 5 6 1 8 5 8 1 9 5 19 1 10 6 7 1 11 6 20 1 12 6 21 1 13 7 9 1 14 7 22 1 15 7 23 1 16 8 12 1 17 8 15 1 18 8 24 1 19 9 10 1 20 9 25 1 21 9 26 1 22 10 11 1 23 10 27 1 24 10 28 1 25 11 13 1 26 11 29 1 27 11 30 1 28 12 14 1 29 12 17 2 30 13 16 1 31 13 31 1 32 13 32 1 33 16 18 1 34 16 33 1 35 16 34 1 36 17 35 1 37 17 36 1 38 18 37 1 39 18 38 1 40 18 39 1