@MOLECULE (5z,11z,14z,17z)-5,11,14,17-icosatetraenoic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3515 -1.4523 -2.4013 O.3 1 UNL1111111111 -0.5768 2 O 0.3103 0.4905 -2.1102 O.2 1 UNL1111111111 -0.5200 3 C -1.0291 2.3231 1.1515 C.3 1 UNL1111111111 -0.2593 4 C -2.1860 1.9679 0.2112 C.3 1 UNL1111111111 -0.2670 5 C 0.0605 3.0911 0.3864 C.3 1 UNL1111111111 -0.2878 6 C -3.1659 1.0050 0.8986 C.3 1 UNL1111111111 -0.2825 7 C 1.2781 3.2388 1.2396 C.2 1 UNL1111111111 -0.1459 8 C 2.4236 1.1875 0.3652 C.3 1 UNL1111111111 -0.2796 9 C 2.8180 1.5765 -1.0678 C.3 1 UNL1111111111 -0.2455 10 C 2.3237 2.4052 1.2276 C.2 1 UNL1111111111 -0.1784 11 C -4.2539 0.6112 -0.0478 C.2 1 UNL1111111111 -0.1500 12 C 2.7551 0.3777 -2.0173 C.3 1 UNL1111111111 -0.3489 13 C -4.1537 -0.3658 -0.9555 C.2 1 UNL1111111111 -0.1648 14 C -2.9260 -1.1980 -1.1730 C.3 1 UNL1111111111 -0.2849 15 C 1.3506 -0.1113 -2.1638 C.2 1 UNL1111111111 0.6600 16 C -2.7557 -2.1759 -0.0538 C.2 1 UNL1111111111 -0.1533 17 C -1.6491 -2.3343 0.6784 C.2 1 UNL1111111111 -0.1648 18 C -0.3785 -1.5686 0.4930 C.3 1 UNL1111111111 -0.3000 19 C 0.2830 -1.3133 1.8100 C.2 1 UNL1111111111 -0.1614 20 C 1.3673 -1.9492 2.2627 C.2 1 UNL1111111111 -0.1592 21 C 2.0812 -3.0515 1.5463 C.3 1 UNL1111111111 -0.2562 22 C 3.1686 -2.4823 0.6305 C.3 1 UNL1111111111 -0.4319 23 H -1.3935 2.9209 2.0054 H 1 UNL1111111111 0.1356 24 H -0.5957 1.4019 1.5866 H 1 UNL1111111111 0.1397 25 H -2.7134 2.8819 -0.1150 H 1 UNL1111111111 0.1374 26 H -1.7920 1.5034 -0.7165 H 1 UNL1111111111 0.1523 27 H -0.3213 4.0822 0.0741 H 1 UNL1111111111 0.1398 28 H 0.2907 2.5564 -0.5614 H 1 UNL1111111111 0.1632 29 H -3.5865 1.4766 1.8074 H 1 UNL1111111111 0.1371 30 H -2.6207 0.1049 1.2581 H 1 UNL1111111111 0.1583 31 H 1.2587 4.0999 1.9070 H 1 UNL1111111111 0.1358 32 H 3.1558 0.4690 0.7830 H 1 UNL1111111111 0.1410 33 H 1.4532 0.6425 0.3645 H 1 UNL1111111111 0.1627 34 H 2.1502 2.3847 -1.4345 H 1 UNL1111111111 0.1609 35 H 3.8378 2.0062 -1.0708 H 1 UNL1111111111 0.1431 36 H 3.1823 2.5749 1.8742 H 1 UNL1111111111 0.1372 37 H -5.1706 1.1916 0.0474 H 1 UNL1111111111 0.1363 38 H 3.1453 0.6568 -3.0215 H 1 UNL1111111111 0.1783 39 H 3.4223 -0.4398 -1.6644 H 1 UNL1111111111 0.1820 40 H -4.9887 -0.6099 -1.6093 H 1 UNL1111111111 0.1369 41 H -2.0382 -0.5330 -1.2868 H 1 UNL1111111111 0.1671 42 H -2.9907 -1.7477 -2.1365 H 1 UNL1111111111 0.1446 43 H -3.6439 -2.7784 0.1428 H 1 UNL1111111111 0.1445 44 H -1.6113 -3.0727 1.4805 H 1 UNL1111111111 0.1483 45 H 0.2915 -2.1302 -0.1955 H 1 UNL1111111111 0.1574 46 H -0.5645 -0.5929 -0.0179 H 1 UNL1111111111 0.1670 47 H -0.1998 -0.5372 2.4062 H 1 UNL1111111111 0.1443 48 H 1.8054 -1.6828 3.2247 H 1 UNL1111111111 0.1398 49 H 1.3736 -3.6674 0.9542 H 1 UNL1111111111 0.1457 50 H 2.5329 -3.7525 2.2771 H 1 UNL1111111111 0.1359 51 H 0.4517 -1.8385 -2.5341 H 1 UNL1111111111 0.3570 52 H 3.7636 -3.2826 0.1774 H 1 UNL1111111111 0.1394 53 H 3.8530 -1.8285 1.1816 H 1 UNL1111111111 0.1405 54 H 2.7266 -1.8979 -0.1871 H 1 UNL1111111111 0.1493 @BOND 1 1 15 1 2 1 51 1 3 2 15 2 4 3 4 1 5 3 5 1 6 3 23 1 7 3 24 1 8 4 6 1 9 4 25 1 10 4 26 1 11 5 7 1 12 5 27 1 13 5 28 1 14 6 11 1 15 6 29 1 16 6 30 1 17 7 10 2 18 7 31 1 19 8 9 1 20 8 10 1 21 8 32 1 22 8 33 1 23 9 12 1 24 9 34 1 25 9 35 1 26 10 36 1 27 11 13 2 28 11 37 1 29 12 15 1 30 12 38 1 31 12 39 1 32 13 14 1 33 13 40 1 34 14 16 1 35 14 41 1 36 14 42 1 37 16 17 2 38 16 43 1 39 17 18 1 40 17 44 1 41 18 19 1 42 18 45 1 43 18 46 1 44 19 20 2 45 19 47 1 46 20 21 1 47 20 48 1 48 21 22 1 49 21 49 1 50 21 50 1 51 22 52 1 52 22 53 1 53 22 54 1