@MOLECULE (5z,8z,11z,14z)-5,8,11,14-icosatetraenedioic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2915 -1.0775 1.4816 O.3 1 UNL1111111111 -0.5799 2 O 2.4484 -2.8284 0.7471 O.2 1 UNL1111111111 -0.5253 3 O -4.2438 1.6767 0.8333 O.3 1 UNL1111111111 -0.5731 4 O -3.1025 -0.0095 1.7306 O.2 1 UNL1111111111 -0.5156 5 C -1.0207 -2.5665 -0.5199 C.3 1 UNL1111111111 -0.2623 6 C -1.0615 -2.5449 1.0121 C.3 1 UNL1111111111 -0.2555 7 C -2.1461 -1.6973 -1.1037 C.3 1 UNL1111111111 -0.2771 8 C 0.2022 -3.1659 1.6157 C.3 1 UNL1111111111 -0.3408 9 C -1.9136 -1.4832 -2.5634 C.2 1 UNL1111111111 -0.1751 10 C -0.6559 1.4369 1.6266 C.3 1 UNL1111111111 -0.2555 11 C 0.5169 2.4063 1.4274 C.3 1 UNL1111111111 -0.2775 12 C -1.5299 -0.3355 -3.1301 C.2 1 UNL1111111111 -0.1495 13 C -1.9571 2.0621 1.1220 C.3 1 UNL1111111111 -0.3512 14 C -1.2617 0.9456 -2.4029 C.3 1 UNL1111111111 -0.2812 15 C 1.4284 -2.4009 1.2236 C.2 1 UNL1111111111 0.6523 16 C 1.7487 1.8554 2.0685 C.2 1 UNL1111111111 -0.1515 17 C 3.2221 1.9503 0.0276 C.3 1 UNL1111111111 -0.2869 18 C 2.9265 1.6689 1.4664 C.2 1 UNL1111111111 -0.1798 19 C -0.0130 1.5882 -2.9241 C.2 1 UNL1111111111 -0.1903 20 C 1.4894 0.0782 -1.6314 C.3 1 UNL1111111111 -0.3013 21 C 1.2200 1.2022 -2.5785 C.2 1 UNL1111111111 -0.1320 22 C 3.7087 0.6959 -0.6309 C.2 1 UNL1111111111 -0.1736 23 C 2.9474 -0.1198 -1.3665 C.2 1 UNL1111111111 -0.1474 24 C -3.0931 1.1080 1.2862 C.2 1 UNL1111111111 0.6496 25 H -1.1041 -3.6028 -0.8954 H 1 UNL1111111111 0.1394 26 H -0.0421 -2.1947 -0.8813 H 1 UNL1111111111 0.1426 27 H -1.9586 -3.0805 1.3775 H 1 UNL1111111111 0.1467 28 H -1.1826 -1.5030 1.3824 H 1 UNL1111111111 0.1690 29 H -2.2109 -0.7396 -0.5499 H 1 UNL1111111111 0.1452 30 H -3.1283 -2.1846 -0.9379 H 1 UNL1111111111 0.1463 31 H 0.1205 -3.1861 2.7241 H 1 UNL1111111111 0.1742 32 H 0.3117 -4.2234 1.2929 H 1 UNL1111111111 0.1736 33 H -2.0783 -2.3728 -3.1727 H 1 UNL1111111111 0.1427 34 H -0.7530 1.1557 2.6946 H 1 UNL1111111111 0.1589 35 H -0.4497 0.4782 1.1033 H 1 UNL1111111111 0.1671 36 H 0.6628 2.6029 0.3451 H 1 UNL1111111111 0.1493 37 H 0.2837 3.3950 1.8767 H 1 UNL1111111111 0.1487 38 H -1.3825 -0.2690 -4.2092 H 1 UNL1111111111 0.1454 39 H -1.8676 2.3672 0.0552 H 1 UNL1111111111 0.1834 40 H -2.1795 3.0070 1.6667 H 1 UNL1111111111 0.1840 41 H -1.1729 0.7753 -1.3070 H 1 UNL1111111111 0.1517 42 H -2.1349 1.6232 -2.5260 H 1 UNL1111111111 0.1503 43 H 1.6228 1.6056 3.1259 H 1 UNL1111111111 0.1483 44 H 3.9937 2.7486 -0.0469 H 1 UNL1111111111 0.1537 45 H 2.3399 2.3642 -0.5072 H 1 UNL1111111111 0.1575 46 H 3.7815 1.2794 2.0232 H 1 UNL1111111111 0.1477 47 H -0.1738 2.3992 -3.6303 H 1 UNL1111111111 0.1433 48 H 1.0372 -0.8563 -2.0424 H 1 UNL1111111111 0.1674 49 H 0.9453 0.2484 -0.6712 H 1 UNL1111111111 0.1675 50 H 2.1040 1.6878 -2.9901 H 1 UNL1111111111 0.1491 51 H 4.7632 0.4775 -0.4624 H 1 UNL1111111111 0.1478 52 H 3.3708 -1.0192 -1.8180 H 1 UNL1111111111 0.1548 53 H 2.0735 -0.5257 1.1976 H 1 UNL1111111111 0.3684 54 H -5.0366 1.0936 0.9134 H 1 UNL1111111111 0.3563 @BOND 1 1 15 1 2 1 53 1 3 2 15 2 4 3 24 1 5 3 54 1 6 4 24 2 7 5 6 1 8 5 7 1 9 5 25 1 10 5 26 1 11 6 8 1 12 6 27 1 13 6 28 1 14 7 9 1 15 7 29 1 16 7 30 1 17 8 15 1 18 8 31 1 19 8 32 1 20 9 12 2 21 9 33 1 22 10 11 1 23 10 13 1 24 10 34 1 25 10 35 1 26 11 16 1 27 11 36 1 28 11 37 1 29 12 14 1 30 12 38 1 31 13 24 1 32 13 39 1 33 13 40 1 34 14 19 1 35 14 41 1 36 14 42 1 37 16 18 2 38 16 43 1 39 17 18 1 40 17 22 1 41 17 44 1 42 17 45 1 43 18 46 1 44 19 21 2 45 19 47 1 46 20 21 1 47 20 23 1 48 20 48 1 49 20 49 1 50 21 50 1 51 22 23 2 52 22 51 1 53 23 52 1