@MOLECULE {(2r,4z)-4-[(5s)-5-methyl-5-[(4r)-4-methyltetradecyl]-2(5h)-furanylidene]-3,5-dioxotetrahydro-2-furanyl}acetic acid 72 73 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8364 2.3407 -0.3794 O.2 1 UNL1111111111 -0.2722 2 O 5.5868 -1.4631 -1.1281 O.3 1 UNL1111111111 -0.3985 3 O 4.9781 -0.8734 2.2918 O.2 1 UNL1111111111 -0.4484 4 O 4.8513 0.3204 -2.2413 O.2 1 UNL1111111111 -0.4209 5 O 4.9502 -5.4413 -0.4103 O.3 1 UNL1111111111 -0.5646 6 O 6.9221 -4.5383 0.1079 O.2 1 UNL1111111111 -0.5000 7 C -1.2747 1.3311 -0.3595 C.3 1 UNL1111111111 -0.0805 8 C -0.4072 2.5793 -0.6252 C.3 1 UNL1111111111 -0.2887 9 C 0.9732 2.4415 0.0265 C.3 1 UNL1111111111 -0.2688 10 C 3.2499 3.5237 0.2881 C.3 1 UNL1111111111 0.2345 11 C 1.8426 3.6657 -0.2816 C.3 1 UNL1111111111 -0.3110 12 C -2.7395 1.6444 -0.7240 C.3 1 UNL1111111111 -0.2903 13 C -3.7002 0.5903 -0.1593 C.3 1 UNL1111111111 -0.2701 14 C -5.1515 0.9364 -0.5159 C.3 1 UNL1111111111 -0.2736 15 C -0.7606 0.1361 -1.1693 C.3 1 UNL1111111111 -0.4486 16 C -6.1129 -0.1186 0.0461 C.3 1 UNL1111111111 -0.2721 17 C 3.2951 3.1575 1.7582 C.2 1 UNL1111111111 -0.1299 18 C 4.1661 4.6791 -0.0622 C.3 1 UNL1111111111 -0.4817 19 C -7.5644 0.2250 -0.3118 C.3 1 UNL1111111111 -0.2719 20 C 4.1598 1.4259 0.5528 C.2 1 UNL1111111111 0.4131 21 C 3.8295 1.9335 1.8957 C.2 1 UNL1111111111 -0.2321 22 C -8.5256 -0.8287 0.2527 C.3 1 UNL1111111111 -0.2722 23 C -9.9772 -0.4859 -0.1057 C.3 1 UNL1111111111 -0.2747 24 C 4.7028 0.2412 0.1865 C.2 1 UNL1111111111 -0.5248 25 C -10.9383 -1.5400 0.4579 C.3 1 UNL1111111111 -0.2721 26 C 5.0909 -0.8245 1.0975 C.2 1 UNL1111111111 0.4776 27 C 5.6849 -1.9362 0.2168 C.3 1 UNL1111111111 0.0233 28 C 5.0086 -0.1955 -1.1744 C.2 1 UNL1111111111 0.6293 29 C -12.3909 -1.1987 0.1002 C.3 1 UNL1111111111 -0.2510 30 C 4.8798 -3.2232 0.3254 C.3 1 UNL1111111111 -0.3726 31 C -13.3519 -2.2468 0.6621 C.3 1 UNL1111111111 -0.4397 32 C 5.7316 -4.4107 0.0082 C.2 1 UNL1111111111 0.6550 33 H -1.2220 1.0830 0.7273 H 1 UNL1111111111 0.1305 34 H -0.9149 3.4811 -0.2358 H 1 UNL1111111111 0.1341 35 H -0.3032 2.7353 -1.7153 H 1 UNL1111111111 0.1455 36 H 0.8629 2.3068 1.1185 H 1 UNL1111111111 0.1376 37 H 1.4728 1.5243 -0.3481 H 1 UNL1111111111 0.1563 38 H 1.3686 4.5852 0.1121 H 1 UNL1111111111 0.1549 39 H 1.9071 3.8036 -1.3832 H 1 UNL1111111111 0.1712 40 H -3.0196 2.6410 -0.3340 H 1 UNL1111111111 0.1336 41 H -2.8485 1.7087 -1.8222 H 1 UNL1111111111 0.1411 42 H -3.5853 0.5215 0.9383 H 1 UNL1111111111 0.1350 43 H -3.4439 -0.4104 -0.5549 H 1 UNL1111111111 0.1395 44 H -5.4121 1.9353 -0.1199 H 1 UNL1111111111 0.1352 45 H -5.2652 1.0056 -1.6138 H 1 UNL1111111111 0.1373 46 H 0.2769 -0.1078 -0.9154 H 1 UNL1111111111 0.1441 47 H -1.3607 -0.7611 -0.9816 H 1 UNL1111111111 0.1442 48 H -0.7953 0.3352 -2.2464 H 1 UNL1111111111 0.1483 49 H -5.9999 -0.1877 1.1440 H 1 UNL1111111111 0.1360 50 H -5.8520 -1.1179 -0.3496 H 1 UNL1111111111 0.1373 51 H 2.9338 3.8332 2.5110 H 1 UNL1111111111 0.1748 52 H 4.3015 4.7591 -1.1530 H 1 UNL1111111111 0.1809 53 H 3.7701 5.6373 0.2941 H 1 UNL1111111111 0.1640 54 H 5.1706 4.5511 0.3655 H 1 UNL1111111111 0.1704 55 H -7.6781 0.2916 -1.4099 H 1 UNL1111111111 0.1368 56 H -7.8255 1.2249 0.0817 H 1 UNL1111111111 0.1356 57 H 4.0198 1.3512 2.7869 H 1 UNL1111111111 0.2088 58 H -8.4127 -0.8953 1.3508 H 1 UNL1111111111 0.1362 59 H -8.2645 -1.8289 -0.1405 H 1 UNL1111111111 0.1370 60 H -10.0904 -0.4186 -1.2037 H 1 UNL1111111111 0.1366 61 H -10.2385 0.5139 0.2880 H 1 UNL1111111111 0.1359 62 H -10.8256 -1.6082 1.5557 H 1 UNL1111111111 0.1363 63 H -10.6779 -2.5402 0.0644 H 1 UNL1111111111 0.1368 64 H 6.7748 -2.0812 0.4089 H 1 UNL1111111111 0.1907 65 H -12.6519 -0.1978 0.4927 H 1 UNL1111111111 0.1333 66 H -12.5044 -1.1324 -0.9983 H 1 UNL1111111111 0.1337 67 H 3.9949 -3.1864 -0.3559 H 1 UNL1111111111 0.2071 68 H 4.4571 -3.3425 1.3520 H 1 UNL1111111111 0.2000 69 H -13.2840 -2.3077 1.7538 H 1 UNL1111111111 0.1422 70 H -14.3909 -2.0086 0.4093 H 1 UNL1111111111 0.1401 71 H -13.1355 -3.2435 0.2620 H 1 UNL1111111111 0.1425 72 H 5.4587 -6.2572 -0.6398 H 1 UNL1111111111 0.3569 @BOND 1 1 10 1 2 1 20 1 3 2 27 1 4 2 28 1 5 3 26 2 6 4 28 2 7 5 32 1 8 5 72 1 9 6 32 2 10 7 8 1 11 7 12 1 12 7 15 1 13 7 33 1 14 8 9 1 15 8 34 1 16 8 35 1 17 9 11 1 18 9 36 1 19 9 37 1 20 10 11 1 21 10 17 1 22 10 18 1 23 11 38 1 24 11 39 1 25 12 13 1 26 12 40 1 27 12 41 1 28 13 14 1 29 13 42 1 30 13 43 1 31 14 16 1 32 14 44 1 33 14 45 1 34 15 46 1 35 15 47 1 36 15 48 1 37 16 19 1 38 16 49 1 39 16 50 1 40 17 21 2 41 17 51 1 42 18 52 1 43 18 53 1 44 18 54 1 45 19 22 1 46 19 55 1 47 19 56 1 48 20 21 1 49 20 24 2 50 21 57 1 51 22 23 1 52 22 58 1 53 22 59 1 54 23 25 1 55 23 60 1 56 23 61 1 57 24 26 1 58 24 28 1 59 25 29 1 60 25 62 1 61 25 63 1 62 26 27 1 63 27 30 1 64 27 64 1 65 29 31 1 66 29 65 1 67 29 66 1 68 30 32 1 69 30 67 1 70 30 68 1 71 31 69 1 72 31 70 1 73 31 71 1