@MOLECULE (5z,8z,11z,14z)-16-(3-ethyl-2-oxiranyl)-5,8,11,14-hexadecatetraenoic acid 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6780 -0.5137 0.8370 O.3 1 UNL1111111111 -0.3708 2 O 3.7981 0.2135 -1.6577 O.3 1 UNL1111111111 -0.5728 3 O 3.5482 0.4310 0.5412 O.2 1 UNL1111111111 -0.5201 4 C -3.7723 0.2395 -0.3783 C.3 1 UNL1111111111 0.0080 5 C -2.5297 -0.5058 -0.0191 C.3 1 UNL1111111111 0.0140 6 C -3.8278 1.7368 -0.2060 C.3 1 UNL1111111111 -0.2788 7 C -2.2027 -1.8240 -0.6763 C.3 1 UNL1111111111 -0.3141 8 C -3.2212 2.4239 -1.4279 C.3 1 UNL1111111111 -0.4332 9 C -1.6612 -1.5734 -2.0456 C.2 1 UNL1111111111 -0.1492 10 C -0.3662 -1.3936 -2.3233 C.2 1 UNL1111111111 -0.1605 11 C 0.7276 -1.4351 -1.3033 C.3 1 UNL1111111111 -0.2968 12 C 1.0453 -2.8431 -0.9089 C.2 1 UNL1111111111 -0.1466 13 C 1.4116 -3.2147 0.3219 C.2 1 UNL1111111111 -0.1684 14 C 1.9172 2.7887 0.0442 C.3 1 UNL1111111111 -0.2442 15 C 0.5510 2.1421 -0.2313 C.3 1 UNL1111111111 -0.2783 16 C 1.5452 -2.2836 1.4876 C.3 1 UNL1111111111 -0.2915 17 C 2.9798 2.2893 -0.9389 C.3 1 UNL1111111111 -0.3494 18 C -0.3720 2.3675 0.9230 C.2 1 UNL1111111111 -0.1875 19 C 0.5203 0.4877 2.3403 C.3 1 UNL1111111111 -0.2977 20 C 0.1982 -1.9923 2.0692 C.2 1 UNL1111111111 -0.1551 21 C -0.3905 1.6355 2.0413 C.2 1 UNL1111111111 -0.1378 22 C -0.2504 -0.7888 2.4385 C.2 1 UNL1111111111 -0.1687 23 C 3.4471 0.9234 -0.5517 C.2 1 UNL1111111111 0.6539 24 H -4.4706 -0.1774 -1.1075 H 1 UNL1111111111 0.1475 25 H -1.6692 0.0359 0.3934 H 1 UNL1111111111 0.1637 26 H -4.8751 2.0638 -0.0529 H 1 UNL1111111111 0.1469 27 H -3.2888 2.0394 0.7160 H 1 UNL1111111111 0.1553 28 H -3.1007 -2.4755 -0.7128 H 1 UNL1111111111 0.1621 29 H -1.4712 -2.3849 -0.0492 H 1 UNL1111111111 0.1736 30 H -3.7578 2.1601 -2.3462 H 1 UNL1111111111 0.1441 31 H -3.2524 3.5140 -1.3282 H 1 UNL1111111111 0.1407 32 H -2.1722 2.1319 -1.5661 H 1 UNL1111111111 0.1482 33 H -2.4162 -1.5335 -2.8315 H 1 UNL1111111111 0.1419 34 H -0.0315 -1.2083 -3.3427 H 1 UNL1111111111 0.1418 35 H 1.6489 -0.9505 -1.6969 H 1 UNL1111111111 0.1526 36 H 0.4356 -0.8356 -0.4092 H 1 UNL1111111111 0.1665 37 H 0.9529 -3.5704 -1.7148 H 1 UNL1111111111 0.1458 38 H 1.6315 -4.2572 0.5477 H 1 UNL1111111111 0.1423 39 H 2.2338 2.5755 1.0882 H 1 UNL1111111111 0.1656 40 H 1.8288 3.8897 -0.0181 H 1 UNL1111111111 0.1430 41 H 0.1186 2.5496 -1.1663 H 1 UNL1111111111 0.1408 42 H 0.6718 1.0543 -0.4222 H 1 UNL1111111111 0.1521 43 H 2.0821 -1.3550 1.1888 H 1 UNL1111111111 0.1669 44 H 2.1944 -2.7280 2.2748 H 1 UNL1111111111 0.1564 45 H 3.8553 2.9758 -0.9494 H 1 UNL1111111111 0.1773 46 H 2.5934 2.2965 -1.9818 H 1 UNL1111111111 0.1845 47 H -1.0610 3.2014 0.7920 H 1 UNL1111111111 0.1431 48 H 1.0486 0.6715 3.3060 H 1 UNL1111111111 0.1657 49 H 1.3449 0.4104 1.5967 H 1 UNL1111111111 0.1680 50 H -0.4313 -2.8768 2.1878 H 1 UNL1111111111 0.1484 51 H -1.1093 1.8506 2.8349 H 1 UNL1111111111 0.1462 52 H -1.2528 -0.6801 2.8606 H 1 UNL1111111111 0.1557 53 H 4.1415 -0.6931 -1.4602 H 1 UNL1111111111 0.3587 @BOND 1 1 4 1 2 1 5 1 3 2 23 1 4 2 53 1 5 3 23 2 6 4 5 1 7 4 6 1 8 4 24 1 9 5 7 1 10 5 25 1 11 6 8 1 12 6 26 1 13 6 27 1 14 7 9 1 15 7 28 1 16 7 29 1 17 8 30 1 18 8 31 1 19 8 32 1 20 9 10 2 21 9 33 1 22 10 11 1 23 10 34 1 24 11 12 1 25 11 35 1 26 11 36 1 27 12 13 2 28 12 37 1 29 13 16 1 30 13 38 1 31 14 15 1 32 14 17 1 33 14 39 1 34 14 40 1 35 15 18 1 36 15 41 1 37 15 42 1 38 16 20 1 39 16 43 1 40 16 44 1 41 17 23 1 42 17 45 1 43 17 46 1 44 18 21 2 45 18 47 1 46 19 21 1 47 19 22 1 48 19 48 1 49 19 49 1 50 20 22 2 51 20 50 1 52 21 51 1 53 22 52 1