@MOLECULE (2e,6e)-7-ethyl-9-(3-ethyl-3-methyl-2-oxiranyl)-3-methyl-2,6-nonadienoic acid 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1100 -0.5866 -0.0045 O.3 1 UNL1111111111 -0.3856 2 O 1.2698 3.2760 0.0564 O.3 1 UNL1111111111 -0.5669 3 O 3.3953 3.0901 0.6823 O.2 1 UNL1111111111 -0.5413 4 C -3.8364 0.8198 0.0392 C.3 1 UNL1111111111 0.1806 5 C -2.9658 -0.1720 0.7525 C.3 1 UNL1111111111 -0.0072 6 C -1.6281 -0.5930 0.2055 C.3 1 UNL1111111111 -0.2842 7 C -3.4257 1.4247 -1.2832 C.3 1 UNL1111111111 -0.2835 8 C -4.8295 1.6190 0.8391 C.3 1 UNL1111111111 -0.4717 9 C -1.1356 -1.8766 0.8916 C.3 1 UNL1111111111 -0.2890 10 C -2.4282 2.5630 -1.0809 C.3 1 UNL1111111111 -0.4301 11 C 0.1705 -2.2970 0.2797 C.2 1 UNL1111111111 0.0230 12 C 0.0772 -3.3554 -0.7764 C.3 1 UNL1111111111 -0.2725 13 C 1.3159 -1.7256 0.6730 C.2 1 UNL1111111111 -0.2241 14 C 2.6695 -2.0482 0.1308 C.3 1 UNL1111111111 -0.2534 15 C 0.1382 -4.7465 -0.1402 C.3 1 UNL1111111111 -0.4278 16 C 3.0642 -1.0364 -0.9623 C.3 1 UNL1111111111 -0.3084 17 C 3.2695 0.3214 -0.3598 C.2 1 UNL1111111111 0.2131 18 C 4.5839 0.5729 0.2826 C.3 1 UNL1111111111 -0.4864 19 C 2.2897 1.2445 -0.4114 C.2 1 UNL1111111111 -0.3997 20 C 2.4360 2.5718 0.1609 C.2 1 UNL1111111111 0.6696 21 H -3.0840 -0.2999 1.8335 H 1 UNL1111111111 0.1475 22 H -1.6897 -0.7591 -0.8898 H 1 UNL1111111111 0.1579 23 H -0.8887 0.2226 0.3476 H 1 UNL1111111111 0.1575 24 H -4.3217 1.7895 -1.8246 H 1 UNL1111111111 0.1478 25 H -2.9926 0.6446 -1.9428 H 1 UNL1111111111 0.1543 26 H -5.6893 1.9203 0.2261 H 1 UNL1111111111 0.1593 27 H -5.2324 1.0427 1.6833 H 1 UNL1111111111 0.1612 28 H -4.3694 2.5300 1.2422 H 1 UNL1111111111 0.1578 29 H -1.0267 -1.7129 1.9817 H 1 UNL1111111111 0.1478 30 H -1.9003 -2.6746 0.7902 H 1 UNL1111111111 0.1564 31 H -1.5228 2.2238 -0.5602 H 1 UNL1111111111 0.1561 32 H -2.1104 2.9877 -2.0398 H 1 UNL1111111111 0.1444 33 H -2.8586 3.3769 -0.4872 H 1 UNL1111111111 0.1427 34 H -0.8662 -3.2444 -1.3515 H 1 UNL1111111111 0.1503 35 H 0.8849 -3.2449 -1.5267 H 1 UNL1111111111 0.1406 36 H 1.3169 -0.9438 1.4334 H 1 UNL1111111111 0.1534 37 H 2.7047 -3.0756 -0.2855 H 1 UNL1111111111 0.1460 38 H 3.4203 -2.0423 0.9476 H 1 UNL1111111111 0.1453 39 H -0.6863 -4.8972 0.5671 H 1 UNL1111111111 0.1482 40 H 1.0728 -4.8918 0.4132 H 1 UNL1111111111 0.1432 41 H 0.0722 -5.5337 -0.8986 H 1 UNL1111111111 0.1412 42 H 2.2757 -1.0158 -1.7435 H 1 UNL1111111111 0.1606 43 H 3.9831 -1.3779 -1.4793 H 1 UNL1111111111 0.1526 44 H 4.4661 0.9235 1.3248 H 1 UNL1111111111 0.1876 45 H 5.1252 1.3930 -0.2236 H 1 UNL1111111111 0.1863 46 H 5.2435 -0.3019 0.3003 H 1 UNL1111111111 0.1562 47 H 1.3253 1.0381 -0.8793 H 1 UNL1111111111 0.1935 48 H 1.3331 4.1851 0.4340 H 1 UNL1111111111 0.3502 @BOND 1 1 4 1 2 1 5 1 3 2 20 1 4 2 48 1 5 3 20 2 6 4 5 1 7 4 7 1 8 4 8 1 9 5 6 1 10 5 21 1 11 6 9 1 12 6 22 1 13 6 23 1 14 7 10 1 15 7 24 1 16 7 25 1 17 8 26 1 18 8 27 1 19 8 28 1 20 9 11 1 21 9 29 1 22 9 30 1 23 10 31 1 24 10 32 1 25 10 33 1 26 11 12 1 27 11 13 2 28 12 15 1 29 12 34 1 30 12 35 1 31 13 14 1 32 13 36 1 33 14 16 1 34 14 37 1 35 14 38 1 36 15 39 1 37 15 40 1 38 15 41 1 39 16 17 1 40 16 42 1 41 16 43 1 42 17 18 1 43 17 19 2 44 18 44 1 45 18 45 1 46 18 46 1 47 19 20 1 48 19 47 1