@MOLECULE (5s)-5-hydroxy-5-[(2z,5z,8z)-2,5,8-tetradecatrien-1-yl]-2(5h)-furanone 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5683 0.8375 -1.0037 O.3 1 UNL1111111111 -0.4919 2 O 1.2527 2.9601 -0.4774 O.3 1 UNL1111111111 -0.5327 3 O 0.6905 -0.5054 -2.7890 O.2 1 UNL1111111111 -0.4143 4 C -0.2589 -2.5640 0.7691 C.3 1 UNL1111111111 -0.2663 5 C 1.2402 -2.4041 0.4859 C.3 1 UNL1111111111 -0.2732 6 C 1.4859 1.6250 -0.1963 C.3 1 UNL1111111111 0.4813 7 C -1.0799 -2.2732 -0.4963 C.3 1 UNL1111111111 -0.2870 8 C 2.0538 -2.4498 1.7853 C.3 1 UNL1111111111 -0.2518 9 C 1.2533 1.2405 1.2634 C.3 1 UNL1111111111 -0.3489 10 C 2.8652 1.2965 -0.7699 C.2 1 UNL1111111111 -0.1285 11 C -2.5413 -2.3765 -0.2143 C.2 1 UNL1111111111 -0.1674 12 C 3.5198 -2.1057 1.5214 C.3 1 UNL1111111111 -0.4398 13 C 0.3302 2.2021 1.9364 C.2 1 UNL1111111111 -0.2019 14 C 2.7200 0.4644 -1.8051 C.2 1 UNL1111111111 -0.2582 15 C -3.4587 -1.4482 -0.4998 C.2 1 UNL1111111111 -0.1521 16 C -3.1885 -0.1168 -1.1265 C.3 1 UNL1111111111 -0.2887 17 C -1.0026 2.0961 1.9582 C.2 1 UNL1111111111 -0.1147 18 C -1.7802 1.0025 1.3083 C.3 1 UNL1111111111 -0.3033 19 C 1.2692 0.1762 -1.9979 C.2 1 UNL1111111111 0.6003 20 C -3.7380 0.9650 -0.2489 C.2 1 UNL1111111111 -0.1502 21 C -3.1150 1.4663 0.8230 C.2 1 UNL1111111111 -0.1622 22 H -0.5735 -1.8813 1.5805 H 1 UNL1111111111 0.1331 23 H -0.4691 -3.5862 1.1340 H 1 UNL1111111111 0.1385 24 H 1.4273 -1.4516 -0.0436 H 1 UNL1111111111 0.1321 25 H 1.5819 -3.1973 -0.2050 H 1 UNL1111111111 0.1416 26 H -0.8075 -1.2736 -0.8999 H 1 UNL1111111111 0.1599 27 H -0.8059 -2.9823 -1.3055 H 1 UNL1111111111 0.1556 28 H 1.6300 -1.7496 2.5297 H 1 UNL1111111111 0.1318 29 H 1.9753 -3.4541 2.2427 H 1 UNL1111111111 0.1353 30 H 0.8548 0.1995 1.3172 H 1 UNL1111111111 0.1874 31 H 2.2239 1.2005 1.8015 H 1 UNL1111111111 0.1645 32 H 3.7481 1.7419 -0.3515 H 1 UNL1111111111 0.1764 33 H -2.8355 -3.3179 0.2527 H 1 UNL1111111111 0.1398 34 H 0.8335 3.0332 2.4311 H 1 UNL1111111111 0.1517 35 H 4.1162 -2.1803 2.4371 H 1 UNL1111111111 0.1381 36 H 3.6313 -1.0869 1.1358 H 1 UNL1111111111 0.1363 37 H 3.9634 -2.7869 0.7864 H 1 UNL1111111111 0.1437 38 H 3.4560 0.0259 -2.4538 H 1 UNL1111111111 0.1887 39 H -4.5129 -1.6218 -0.2768 H 1 UNL1111111111 0.1407 40 H -2.1018 0.0446 -1.3169 H 1 UNL1111111111 0.1682 41 H -3.6490 -0.0783 -2.1378 H 1 UNL1111111111 0.1548 42 H -1.6073 2.8386 2.4844 H 1 UNL1111111111 0.1462 43 H -1.2031 0.5390 0.4715 H 1 UNL1111111111 0.1832 44 H -1.9261 0.1641 2.0314 H 1 UNL1111111111 0.1699 45 H 0.3036 3.1961 -0.3202 H 1 UNL1111111111 0.3528 46 H -4.7226 1.3275 -0.5410 H 1 UNL1111111111 0.1411 47 H -3.5772 2.2510 1.4209 H 1 UNL1111111111 0.1405 @BOND 1 1 6 1 2 1 19 1 3 2 6 1 4 2 45 1 5 3 19 2 6 4 5 1 7 4 7 1 8 4 22 1 9 4 23 1 10 5 8 1 11 5 24 1 12 5 25 1 13 6 9 1 14 6 10 1 15 7 11 1 16 7 26 1 17 7 27 1 18 8 12 1 19 8 28 1 20 8 29 1 21 9 13 1 22 9 30 1 23 9 31 1 24 10 14 2 25 10 32 1 26 11 15 2 27 11 33 1 28 12 35 1 29 12 36 1 30 12 37 1 31 13 17 2 32 13 34 1 33 14 19 1 34 14 38 1 35 15 16 1 36 15 39 1 37 16 20 1 38 16 40 1 39 16 41 1 40 17 18 1 41 17 42 1 42 18 21 1 43 18 43 1 44 18 44 1 45 20 21 2 46 20 46 1 47 21 47 1