@MOLECULE (6s)-6-[(1e,3e,6e,9e)-1,3,6,9-pentadecatetraen-1-yl]tetrahydro-2h-pyran-2-one 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2244 -0.1785 0.5274 O.3 1 UNL1111111111 -0.4246 2 O 4.6092 -1.8294 0.7058 O.2 1 UNL1111111111 -0.4688 3 C 3.4545 1.4925 -1.2701 C.3 1 UNL1111111111 -0.3287 4 C 4.9595 1.2376 -1.2495 C.3 1 UNL1111111111 -0.2538 5 C 2.8803 1.1420 0.1033 C.3 1 UNL1111111111 0.1367 6 C 5.2135 -0.2407 -0.9734 C.3 1 UNL1111111111 -0.3803 7 C 4.3665 -0.7949 0.1356 C.2 1 UNL1111111111 0.6110 8 C 1.3827 1.1371 0.0716 C.2 1 UNL1111111111 -0.1954 9 C -1.8149 -3.2037 -0.6154 C.3 1 UNL1111111111 -0.2597 10 C -1.2601 -2.4195 0.5803 C.3 1 UNL1111111111 -0.2690 11 C -3.3526 -3.1725 -0.6291 C.3 1 UNL1111111111 -0.2848 12 C 0.2718 -2.4847 0.6126 C.3 1 UNL1111111111 -0.2471 13 C 0.6558 2.2276 0.3441 C.2 1 UNL1111111111 -0.1465 14 C -3.8446 -1.8232 -1.0402 C.2 1 UNL1111111111 -0.1471 15 C 0.8206 -1.8023 1.8646 C.3 1 UNL1111111111 -0.4460 16 C -4.5992 -1.0494 -0.2566 C.2 1 UNL1111111111 -0.1693 17 C -0.7993 2.2108 0.3219 C.2 1 UNL1111111111 -0.1777 18 C -5.0782 0.3044 -0.6827 C.3 1 UNL1111111111 -0.2863 19 C -1.5272 3.2962 0.6200 C.2 1 UNL1111111111 -0.1231 20 C -3.0219 3.3133 0.6502 C.3 1 UNL1111111111 -0.2901 21 C -4.4750 1.3420 0.2120 C.2 1 UNL1111111111 -0.1486 22 C -3.6314 2.2745 -0.2371 C.2 1 UNL1111111111 -0.1632 23 H 3.2284 2.5461 -1.5182 H 1 UNL1111111111 0.1555 24 H 2.9662 0.8902 -2.0613 H 1 UNL1111111111 0.1616 25 H 5.4201 1.5344 -2.2114 H 1 UNL1111111111 0.1451 26 H 5.4503 1.8679 -0.4817 H 1 UNL1111111111 0.1458 27 H 3.2924 1.8026 0.9032 H 1 UNL1111111111 0.1386 28 H 5.0200 -0.8473 -1.8870 H 1 UNL1111111111 0.1791 29 H 6.2847 -0.4200 -0.7350 H 1 UNL1111111111 0.1785 30 H 0.9348 0.1731 -0.1779 H 1 UNL1111111111 0.1803 31 H -1.4165 -2.7894 -1.5606 H 1 UNL1111111111 0.1358 32 H -1.4655 -4.2517 -0.5728 H 1 UNL1111111111 0.1333 33 H -1.6737 -2.8215 1.5235 H 1 UNL1111111111 0.1368 34 H -1.5976 -1.3669 0.5318 H 1 UNL1111111111 0.1389 35 H -3.7426 -3.4675 0.3654 H 1 UNL1111111111 0.1441 36 H -3.7378 -3.9389 -1.3328 H 1 UNL1111111111 0.1411 37 H 0.6112 -3.5376 0.5841 H 1 UNL1111111111 0.1345 38 H 0.6931 -2.0125 -0.2941 H 1 UNL1111111111 0.1270 39 H 1.1246 3.1783 0.6040 H 1 UNL1111111111 0.1440 40 H -3.5336 -1.5098 -2.0351 H 1 UNL1111111111 0.1417 41 H 0.5346 -2.3372 2.7750 H 1 UNL1111111111 0.1386 42 H 0.4644 -0.7709 1.9569 H 1 UNL1111111111 0.1415 43 H 1.9202 -1.7597 1.8374 H 1 UNL1111111111 0.1639 44 H -4.9009 -1.3484 0.7445 H 1 UNL1111111111 0.1458 45 H -1.2720 1.2596 0.0633 H 1 UNL1111111111 0.1650 46 H -4.8404 0.5005 -1.7496 H 1 UNL1111111111 0.1479 47 H -6.1883 0.3496 -0.6247 H 1 UNL1111111111 0.1533 48 H -3.3569 3.1892 1.7062 H 1 UNL1111111111 0.1602 49 H -3.4022 4.3151 0.3470 H 1 UNL1111111111 0.1527 50 H -1.0602 4.2439 0.8854 H 1 UNL1111111111 0.1381 51 H -4.7639 1.2691 1.2586 H 1 UNL1111111111 0.1457 52 H -3.3322 2.3368 -1.2819 H 1 UNL1111111111 0.1480 @BOND 1 1 5 1 2 1 7 1 3 2 7 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 8 1 12 5 27 1 13 6 7 1 14 6 28 1 15 6 29 1 16 8 13 2 17 8 30 1 18 9 10 1 19 9 11 1 20 9 31 1 21 9 32 1 22 10 12 1 23 10 33 1 24 10 34 1 25 11 14 1 26 11 35 1 27 11 36 1 28 12 15 1 29 12 37 1 30 12 38 1 31 13 17 1 32 13 39 1 33 14 16 2 34 14 40 1 35 15 41 1 36 15 42 1 37 15 43 1 38 16 18 1 39 16 44 1 40 17 19 2 41 17 45 1 42 18 21 1 43 18 46 1 44 18 47 1 45 19 20 1 46 19 50 1 47 20 22 1 48 20 48 1 49 20 49 1 50 21 22 2 51 21 51 1 52 22 52 1