@MOLECULE (5z,8z,11z,14z)-7,7-dimethyl-5,8,11,14-icosatetraenoic acid 60 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5221 0.0068 0.9931 O.3 1 UNL1111111111 -0.5690 2 O -0.9165 2.0141 1.8718 O.2 1 UNL1111111111 -0.5141 3 C 4.1992 0.3574 -0.3495 C.3 1 UNL1111111111 0.0911 4 C 3.2421 1.3587 0.2427 C.2 1 UNL1111111111 -0.1794 5 C 5.6027 0.6925 0.1950 C.3 1 UNL1111111111 -0.4549 6 C 4.2279 0.3848 -1.8883 C.3 1 UNL1111111111 -0.4530 7 C 3.8166 -1.0437 0.0624 C.2 1 UNL1111111111 -0.2035 8 C -3.5828 -0.1856 -0.7302 C.3 1 UNL1111111111 -0.2688 9 C 1.6621 3.2707 0.2238 C.3 1 UNL1111111111 -0.2825 10 C -4.6006 0.8485 -0.2380 C.3 1 UNL1111111111 -0.2739 11 C 2.6312 2.3371 -0.4282 C.2 1 UNL1111111111 -0.1711 12 C 0.2975 3.2166 -0.4829 C.3 1 UNL1111111111 -0.2378 13 C -4.0839 -1.6173 -0.4767 C.3 1 UNL1111111111 -0.2779 14 C -4.0447 2.2722 -0.3800 C.3 1 UNL1111111111 -0.2536 15 C 2.5633 -1.4232 0.3217 C.2 1 UNL1111111111 -0.1441 16 C 2.2034 -2.8230 0.7114 C.3 1 UNL1111111111 -0.2858 17 C -0.2845 1.8001 -0.4818 C.3 1 UNL1111111111 -0.3460 18 C -2.9929 -2.5859 -0.8039 C.2 1 UNL1111111111 -0.1603 19 C -5.0914 3.3093 0.0270 C.3 1 UNL1111111111 -0.4381 20 C 0.9879 -3.2713 -0.0385 C.2 1 UNL1111111111 -0.1432 21 C -1.2769 -4.2845 -0.2016 C.3 1 UNL1111111111 -0.2849 22 C -2.4018 -3.3486 0.1193 C.2 1 UNL1111111111 -0.1543 23 C -0.0586 -3.8505 0.5551 C.2 1 UNL1111111111 -0.1638 24 C -0.6060 1.3617 0.9105 C.2 1 UNL1111111111 0.6516 25 H 3.0827 1.2181 1.3131 H 1 UNL1111111111 0.1508 26 H 5.8801 1.7245 -0.0451 H 1 UNL1111111111 0.1481 27 H 6.3653 0.0352 -0.2335 H 1 UNL1111111111 0.1449 28 H 5.6410 0.5838 1.2843 H 1 UNL1111111111 0.1486 29 H 4.8897 -0.3938 -2.2831 H 1 UNL1111111111 0.1468 30 H 3.2293 0.2071 -2.3027 H 1 UNL1111111111 0.1489 31 H 4.5890 1.3467 -2.2647 H 1 UNL1111111111 0.1441 32 H 4.6502 -1.7402 0.1062 H 1 UNL1111111111 0.1451 33 H -3.3798 -0.0418 -1.8068 H 1 UNL1111111111 0.1331 34 H -2.6121 -0.0453 -0.2139 H 1 UNL1111111111 0.1495 35 H -5.5448 0.7508 -0.8046 H 1 UNL1111111111 0.1352 36 H -4.8609 0.6547 0.8196 H 1 UNL1111111111 0.1396 37 H 1.5319 3.0420 1.3026 H 1 UNL1111111111 0.1572 38 H 2.0593 4.3063 0.1957 H 1 UNL1111111111 0.1461 39 H 2.7842 2.5098 -1.4905 H 1 UNL1111111111 0.1446 40 H -0.4043 3.9139 0.0192 H 1 UNL1111111111 0.1523 41 H 0.3964 3.5754 -1.5250 H 1 UNL1111111111 0.1398 42 H -4.9809 -1.8243 -1.0932 H 1 UNL1111111111 0.1420 43 H -4.4173 -1.7201 0.5748 H 1 UNL1111111111 0.1430 44 H -3.7207 2.4523 -1.4214 H 1 UNL1111111111 0.1279 45 H -3.1427 2.3890 0.2535 H 1 UNL1111111111 0.1404 46 H 1.7173 -0.7343 0.2732 H 1 UNL1111111111 0.1644 47 H 2.0440 -2.8642 1.8117 H 1 UNL1111111111 0.1550 48 H 3.0385 -3.5302 0.5141 H 1 UNL1111111111 0.1511 49 H -1.2058 1.7516 -1.1027 H 1 UNL1111111111 0.1755 50 H 0.4269 1.0851 -0.9577 H 1 UNL1111111111 0.1911 51 H -2.6988 -2.6078 -1.8507 H 1 UNL1111111111 0.1418 52 H -4.6940 4.3269 -0.0551 H 1 UNL1111111111 0.1400 53 H -5.9840 3.2499 -0.6046 H 1 UNL1111111111 0.1395 54 H -5.4106 3.1663 1.0659 H 1 UNL1111111111 0.1453 55 H 1.0199 -3.0852 -1.1104 H 1 UNL1111111111 0.1474 56 H -1.5547 -5.3240 0.0791 H 1 UNL1111111111 0.1504 57 H -1.0815 -4.3247 -1.2931 H 1 UNL1111111111 0.1473 58 H -2.6898 -3.3227 1.1676 H 1 UNL1111111111 0.1429 59 H -0.0988 -4.0267 1.6269 H 1 UNL1111111111 0.1416 60 H -0.7462 -0.3615 1.8808 H 1 UNL1111111111 0.3559 @BOND 1 1 24 1 2 1 60 1 3 2 24 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 7 1 8 4 11 2 9 4 25 1 10 5 26 1 11 5 27 1 12 5 28 1 13 6 29 1 14 6 30 1 15 6 31 1 16 7 15 2 17 7 32 1 18 8 10 1 19 8 13 1 20 8 33 1 21 8 34 1 22 9 11 1 23 9 12 1 24 9 37 1 25 9 38 1 26 10 14 1 27 10 35 1 28 10 36 1 29 11 39 1 30 12 17 1 31 12 40 1 32 12 41 1 33 13 18 1 34 13 42 1 35 13 43 1 36 14 19 1 37 14 44 1 38 14 45 1 39 15 16 1 40 15 46 1 41 16 20 1 42 16 47 1 43 16 48 1 44 17 24 1 45 17 49 1 46 17 50 1 47 18 22 2 48 18 51 1 49 19 52 1 50 19 53 1 51 19 54 1 52 20 23 2 53 20 55 1 54 21 22 1 55 21 23 1 56 21 56 1 57 21 57 1 58 22 58 1 59 23 59 1