@MOLECULE 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylene-furan-2-one 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2402 2.0331 0.7231 O.3 1 UNL111111111 -0.3560 2 O -1.0035 -0.8179 -2.1758 O.2 1 UNL111111111 -0.4392 3 O -0.1339 1.7841 -1.0463 O.2 1 UNL111111111 -0.3438 4 O -4.2306 0.0290 0.5025 O.2 1 UNL111111111 -0.3806 5 C 3.1759 0.3439 0.4328 C.3 1 UNL111111111 -0.2775 6 C 2.4948 -0.8599 1.0946 C.3 1 UNL111111111 -0.2595 7 C 4.6646 0.0599 0.1975 C.3 1 UNL111111111 -0.2688 8 C 0.9901 -0.6037 1.2766 C.3 1 UNL111111111 -0.2817 9 C 5.3511 1.2647 -0.4596 C.3 1 UNL111111111 -0.2519 10 C -1.4025 -3.2610 -0.8402 C.3 1 UNL111111111 -0.2348 11 C -0.0099 -3.0853 -0.2111 C.3 1 UNL111111111 -0.2866 12 C 0.3417 -1.7898 1.9148 C.2 1 UNL111111111 -0.1750 13 C -2.2978 -2.0455 -0.5863 C.3 1 UNL111111111 -0.3701 14 C -0.1006 -2.8705 1.2640 C.2 1 UNL111111111 -0.1546 15 C 6.8340 0.9812 -0.7007 C.3 1 UNL111111111 -0.4403 16 C -1.7151 -0.8015 -1.2013 C.2 1 UNL111111111 0.5251 17 C -2.0520 0.4639 -0.5399 C.2 1 UNL111111111 -0.4369 18 C -1.3239 1.6134 -0.4949 C.2 1 UNL111111111 0.3308 19 C -3.2805 0.6894 0.2284 C.2 1 UNL111111111 0.6041 20 C -2.0638 2.6234 0.3091 C.2 1 UNL111111111 0.1269 21 C -1.7658 3.8749 0.6422 C.2 1 UNL111111111 -0.3363 22 H 3.0561 1.2421 1.0647 H 1 UNL111111111 0.1298 23 H 2.6793 0.5733 -0.5296 H 1 UNL111111111 0.1400 24 H 2.6448 -1.7680 0.4796 H 1 UNL111111111 0.1425 25 H 2.9623 -1.0765 2.0725 H 1 UNL111111111 0.1381 26 H 4.7827 -0.8358 -0.4412 H 1 UNL111111111 0.1404 27 H 5.1616 -0.1836 1.1547 H 1 UNL111111111 0.1360 28 H 0.8337 0.3019 1.8939 H 1 UNL111111111 0.1338 29 H 0.5285 -0.3780 0.2918 H 1 UNL111111111 0.1521 30 H 5.2373 2.1605 0.1785 H 1 UNL111111111 0.1291 31 H 4.8528 1.5072 -1.4173 H 1 UNL111111111 0.1339 32 H -1.2898 -3.4195 -1.9325 H 1 UNL111111111 0.1509 33 H -1.8881 -4.1711 -0.4410 H 1 UNL111111111 0.1361 34 H 0.6079 -3.9838 -0.4184 H 1 UNL111111111 0.1440 35 H 0.5220 -2.2531 -0.7195 H 1 UNL111111111 0.1619 36 H 0.2534 -1.7212 2.9989 H 1 UNL111111111 0.1400 37 H -2.4526 -1.9134 0.5060 H 1 UNL111111111 0.1764 38 H -3.3138 -2.2139 -1.0043 H 1 UNL111111111 0.1769 39 H -0.5716 -3.6919 1.8054 H 1 UNL111111111 0.1398 40 H 6.9742 0.1165 -1.3593 H 1 UNL111111111 0.1444 41 H 7.3587 0.7692 0.2376 H 1 UNL111111111 0.1426 42 H 7.3314 1.8366 -1.1702 H 1 UNL111111111 0.1392 43 H 0.2361 2.7006 -0.8738 H 1 UNL111111111 0.3310 44 H -2.4270 4.4858 1.2478 H 1 UNL111111111 0.1863 45 H -0.8671 4.3910 0.3504 H 1 UNL111111111 0.1616 @BOND 1 1 19 1 2 1 20 1 3 2 16 2 4 3 18 1 5 3 43 1 6 4 19 2 7 5 6 1 8 5 7 1 9 5 22 1 10 5 23 1 11 6 8 1 12 6 24 1 13 6 25 1 14 7 9 1 15 7 26 1 16 7 27 1 17 8 12 1 18 8 28 1 19 8 29 1 20 9 15 1 21 9 30 1 22 9 31 1 23 10 11 1 24 10 13 1 25 10 32 1 26 10 33 1 27 11 14 1 28 11 34 1 29 11 35 1 30 12 14 2 31 12 36 1 32 13 16 1 33 13 37 1 34 13 38 1 35 14 39 1 36 15 40 1 37 15 41 1 38 15 42 1 39 16 17 1 40 17 18 2 41 17 19 1 42 18 20 1 43 20 21 2 44 21 44 1 45 21 45 1