@MOLECULE (10z,12z,14s)-14-pentyloxacyclotetradeca-10,12-dien-2-one 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3176 -0.4434 0.9330 O.3 1 UNL1111111111 -0.4484 2 O -0.1363 -1.0579 -1.2253 O.2 1 UNL1111111111 -0.5299 3 C 3.1360 -1.1296 0.5736 C.3 1 UNL1111111111 -0.2762 4 C 2.9158 -2.6455 0.6581 C.3 1 UNL1111111111 -0.2708 5 C 3.3520 -0.6482 -0.8684 C.3 1 UNL1111111111 -0.2736 6 C 1.6669 -3.1323 -0.0872 C.3 1 UNL1111111111 -0.2525 7 C -2.2317 0.9718 0.9135 C.3 1 UNL1111111111 -0.3116 8 C -3.0872 0.3871 -0.2145 C.3 1 UNL1111111111 -0.2689 9 C -0.7410 0.8837 0.5655 C.3 1 UNL1111111111 0.1317 10 C 4.2593 0.5875 -0.9380 C.3 1 UNL1111111111 -0.2617 11 C 0.3633 -2.6382 0.5509 C.3 1 UNL1111111111 -0.3438 12 C -4.5610 0.3159 0.2008 C.3 1 UNL1111111111 -0.2717 13 C 3.6426 1.8138 -0.2495 C.3 1 UNL1111111111 -0.2865 14 C -5.4142 -0.2684 -0.9331 C.3 1 UNL1111111111 -0.2494 15 C -0.0386 -1.3243 -0.0542 C.2 1 UNL1111111111 0.6233 16 C 0.0876 1.7870 1.4293 C.2 1 UNL1111111111 -0.2178 17 C 2.4925 2.3632 -1.0275 C.2 1 UNL1111111111 -0.1071 18 C 1.0163 2.6128 0.9364 C.2 1 UNL1111111111 -0.1163 19 C -6.8838 -0.3559 -0.5216 C.3 1 UNL1111111111 -0.4415 20 C 1.3252 2.7300 -0.4877 C.2 1 UNL1111111111 -0.2155 21 H 4.0081 -0.8586 1.1992 H 1 UNL1111111111 0.1343 22 H 2.2747 -0.5946 1.0212 H 1 UNL1111111111 0.1481 23 H 2.8556 -2.9455 1.7222 H 1 UNL1111111111 0.1343 24 H 3.8055 -3.1667 0.2523 H 1 UNL1111111111 0.1364 25 H 2.3722 -0.4228 -1.3377 H 1 UNL1111111111 0.1561 26 H 3.7955 -1.4574 -1.4785 H 1 UNL1111111111 0.1350 27 H 1.6662 -4.2402 -0.1081 H 1 UNL1111111111 0.1382 28 H 1.7123 -2.8193 -1.1519 H 1 UNL1111111111 0.1622 29 H -2.5125 2.0247 1.1027 H 1 UNL1111111111 0.1488 30 H -2.4213 0.4296 1.8610 H 1 UNL1111111111 0.1557 31 H -2.9787 0.9968 -1.1318 H 1 UNL1111111111 0.1410 32 H -2.7184 -0.6221 -0.4854 H 1 UNL1111111111 0.1482 33 H -0.5609 1.0476 -0.5238 H 1 UNL1111111111 0.1602 34 H 4.4785 0.8225 -1.9975 H 1 UNL1111111111 0.1355 35 H 5.2371 0.3569 -0.4741 H 1 UNL1111111111 0.1330 36 H 0.4677 -2.5566 1.6532 H 1 UNL1111111111 0.1772 37 H -0.4563 -3.3677 0.3770 H 1 UNL1111111111 0.1714 38 H -4.6703 -0.3022 1.1111 H 1 UNL1111111111 0.1352 39 H -4.9302 1.3222 0.4715 H 1 UNL1111111111 0.1346 40 H 4.4141 2.6060 -0.1365 H 1 UNL1111111111 0.1453 41 H 3.3437 1.5465 0.7853 H 1 UNL1111111111 0.1521 42 H -5.3121 0.3537 -1.8424 H 1 UNL1111111111 0.1350 43 H -5.0385 -1.2717 -1.2103 H 1 UNL1111111111 0.1356 44 H -0.1062 1.7041 2.4962 H 1 UNL1111111111 0.1570 45 H 2.6688 2.4530 -2.1000 H 1 UNL1111111111 0.1452 46 H 1.6062 3.2599 1.5911 H 1 UNL1111111111 0.1516 47 H -7.0165 -0.9984 0.3558 H 1 UNL1111111111 0.1412 48 H -7.4982 -0.7699 -1.3285 H 1 UNL1111111111 0.1398 49 H -7.2895 0.6306 -0.2720 H 1 UNL1111111111 0.1410 50 H 0.5197 3.1381 -1.1016 H 1 UNL1111111111 0.1588 @BOND 1 1 9 1 2 1 15 1 3 2 15 2 4 3 4 1 5 3 5 1 6 3 21 1 7 3 22 1 8 4 6 1 9 4 23 1 10 4 24 1 11 5 10 1 12 5 25 1 13 5 26 1 14 6 11 1 15 6 27 1 16 6 28 1 17 7 8 1 18 7 9 1 19 7 29 1 20 7 30 1 21 8 12 1 22 8 31 1 23 8 32 1 24 9 16 1 25 9 33 1 26 10 13 1 27 10 34 1 28 10 35 1 29 11 15 1 30 11 36 1 31 11 37 1 32 12 14 1 33 12 38 1 34 12 39 1 35 13 17 1 36 13 40 1 37 13 41 1 38 14 19 1 39 14 42 1 40 14 43 1 41 16 18 2 42 16 44 1 43 17 20 2 44 17 45 1 45 18 20 1 46 18 46 1 47 19 47 1 48 19 48 1 49 19 49 1 50 20 50 1