@MOLECULE (2s,3r)-4-methylene-5-oxo-2-tridecyltetrahydro-3-furancarboxylic acid 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.3347 1.2430 0.6104 O.3 1 UNL1111111111 -0.4038 2 O 5.6105 -2.5275 0.6123 O.3 1 UNL1111111111 -0.5613 3 O 5.6576 3.0154 0.3648 O.2 1 UNL1111111111 -0.4215 4 O 7.6202 -1.7305 0.0710 O.2 1 UNL1111111111 -0.4877 5 C 4.3167 -0.1587 0.2991 C.3 1 UNL1111111111 0.1386 6 C 3.0551 -0.4222 -0.5157 C.3 1 UNL1111111111 -0.3125 7 C 1.8090 -0.1252 0.3279 C.3 1 UNL1111111111 -0.2600 8 C 0.5343 -0.3475 -0.4943 C.3 1 UNL1111111111 -0.2739 9 C 5.6240 -0.4570 -0.4986 C.3 1 UNL1111111111 -0.2502 10 C -0.7105 -0.0604 0.3549 C.3 1 UNL1111111111 -0.2722 11 C -1.9882 -0.2770 -0.4650 C.3 1 UNL1111111111 -0.2742 12 C -3.2322 0.0184 0.3826 C.3 1 UNL1111111111 -0.2722 13 C -4.5107 -0.2035 -0.4352 C.3 1 UNL1111111111 -0.2733 14 C -5.7544 0.0938 0.4120 C.3 1 UNL1111111111 -0.2714 15 C 6.3736 0.8379 -0.4594 C.2 1 UNL1111111111 -0.1621 16 C -7.0331 -0.1282 -0.4058 C.3 1 UNL1111111111 -0.2724 17 C -8.2770 0.1585 0.4448 C.3 1 UNL1111111111 -0.2745 18 C 5.4924 1.8435 0.1843 C.2 1 UNL1111111111 0.5840 19 C 6.4282 -1.5849 0.0786 C.2 1 UNL1111111111 0.6380 20 C -9.5557 -0.0665 -0.3716 C.3 1 UNL1111111111 -0.2723 21 C -10.8015 0.2099 0.4807 C.3 1 UNL1111111111 -0.2509 22 C 7.6045 1.0884 -0.8952 C.2 1 UNL1111111111 -0.1715 23 C -12.0778 -0.0154 -0.3302 C.3 1 UNL1111111111 -0.4398 24 H 4.2968 -0.6644 1.2896 H 1 UNL1111111111 0.1613 25 H 3.0464 0.2076 -1.4271 H 1 UNL1111111111 0.1546 26 H 3.0415 -1.4757 -0.8577 H 1 UNL1111111111 0.1538 27 H 1.8474 0.9207 0.6966 H 1 UNL1111111111 0.1580 28 H 1.7958 -0.7638 1.2309 H 1 UNL1111111111 0.1390 29 H 0.5015 -1.3851 -0.8747 H 1 UNL1111111111 0.1337 30 H 0.5397 0.3051 -1.3875 H 1 UNL1111111111 0.1381 31 H 5.3749 -0.7306 -1.5603 H 1 UNL1111111111 0.1982 32 H -0.7190 -0.7112 1.2490 H 1 UNL1111111111 0.1365 33 H -0.6767 0.9780 0.7361 H 1 UNL1111111111 0.1412 34 H -2.0256 -1.3156 -0.8425 H 1 UNL1111111111 0.1346 35 H -1.9786 0.3714 -1.3610 H 1 UNL1111111111 0.1371 36 H -3.1975 1.0589 0.7562 H 1 UNL1111111111 0.1382 37 H -3.2407 -0.6265 1.2810 H 1 UNL1111111111 0.1362 38 H -4.5021 0.4409 -1.3340 H 1 UNL1111111111 0.1368 39 H -4.5464 -1.2439 -0.8080 H 1 UNL1111111111 0.1357 40 H -5.7193 1.1345 0.7846 H 1 UNL1111111111 0.1371 41 H -5.7632 -0.5504 1.3109 H 1 UNL1111111111 0.1363 42 H -7.0282 0.5219 -1.3004 H 1 UNL1111111111 0.1365 43 H -7.0649 -1.1665 -0.7851 H 1 UNL1111111111 0.1361 44 H -8.2805 -0.4897 1.3408 H 1 UNL1111111111 0.1363 45 H -8.2465 1.1977 0.8221 H 1 UNL1111111111 0.1367 46 H -9.5565 0.5868 -1.2638 H 1 UNL1111111111 0.1365 47 H -9.5837 -1.1030 -0.7558 H 1 UNL1111111111 0.1362 48 H -10.7752 1.2476 0.8634 H 1 UNL1111111111 0.1337 49 H -10.8011 -0.4427 1.3740 H 1 UNL1111111111 0.1335 50 H 8.2462 0.3351 -1.3412 H 1 UNL1111111111 0.1694 51 H 8.0683 2.0679 -0.8207 H 1 UNL1111111111 0.1694 52 H -12.1456 -1.0474 -0.6918 H 1 UNL1111111111 0.1421 53 H -12.1182 0.6437 -1.2045 H 1 UNL1111111111 0.1423 54 H -12.9711 0.1818 0.2725 H 1 UNL1111111111 0.1401 55 H 6.0940 -3.3018 0.9971 H 1 UNL1111111111 0.3622 @BOND 1 1 5 1 2 1 18 1 3 2 19 1 4 2 55 1 5 3 18 2 6 4 19 2 7 5 6 1 8 5 9 1 9 5 24 1 10 6 7 1 11 6 25 1 12 6 26 1 13 7 8 1 14 7 27 1 15 7 28 1 16 8 10 1 17 8 29 1 18 8 30 1 19 9 15 1 20 9 19 1 21 9 31 1 22 10 11 1 23 10 32 1 24 10 33 1 25 11 12 1 26 11 34 1 27 11 35 1 28 12 13 1 29 12 36 1 30 12 37 1 31 13 14 1 32 13 38 1 33 13 39 1 34 14 16 1 35 14 40 1 36 14 41 1 37 15 18 1 38 15 22 2 39 16 17 1 40 16 42 1 41 16 43 1 42 17 20 1 43 17 44 1 44 17 45 1 45 20 21 1 46 20 46 1 47 20 47 1 48 21 23 1 49 21 48 1 50 21 49 1 51 22 50 1 52 22 51 1 53 23 52 1 54 23 53 1 55 23 54 1