@MOLECULE 8-acetyl-9-formyl-12-hydroxy-5,10-heptadecadienoate 57 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.5889 0.8354 -0.0438 O.3 1 UNL1111 -0.5619 2 O -0.3253 0.1579 0.5926 O.2 1 UNL1111 -0.4652 3 O 3.3943 -3.6350 -0.5177 O.2 1 UNL1111 -0.4099 4 O -3.7231 1.0093 -2.0707 O.3 1 UNL1111 -0.5925 5 O -5.3936 1.4006 -0.6514 O.2 1 UNL1111 -0.4968 6 C 0.2566 -1.8798 -0.5060 C.3 1 UNL1111 -0.2108 7 C 1.7507 -1.9413 -0.8824 C.3 1 UNL1111 -0.2367 8 C -0.0487 -2.5499 0.8470 C.3 1 UNL1111 -0.2716 9 C 3.6873 2.1739 0.2211 C.3 1 UNL1111 -0.2982 10 C 4.2387 0.7476 0.3935 C.3 1 UNL1111 0.1526 11 C 2.3196 2.3147 0.8931 C.3 1 UNL1111 -0.2823 12 C 2.5688 -1.0534 0.0025 C.2 1 UNL1111 -0.1446 13 C 1.5467 3.5140 0.3302 C.3 1 UNL1111 -0.2655 14 C -0.1541 -0.4081 -0.4574 C.2 1 UNL1111 0.5008 15 C 3.4853 -0.2130 -0.4805 C.2 1 UNL1111 -0.2130 16 C -1.5307 -2.6901 1.0045 C.2 1 UNL1111 -0.2061 17 C 0.1179 3.5389 0.8904 C.3 1 UNL1111 -0.2578 18 C 2.2638 -3.3719 -0.8329 C.2 1 UNL1111 0.3352 19 C -0.3403 0.2991 -1.7616 C.3 1 UNL1111 -0.5636 20 C -2.2524 -1.8108 1.7050 C.2 1 UNL1111 -0.1239 21 C -3.7429 -1.8621 1.7965 C.3 1 UNL1111 -0.2910 22 C -0.6899 4.6853 0.2833 C.3 1 UNL1111 -0.4403 23 C -4.3462 -0.6158 1.1289 C.3 1 UNL1111 -0.2396 24 C -3.9734 -0.5637 -0.3567 C.3 1 UNL1111 -0.3512 25 C -4.4760 0.6969 -0.9747 C.2 1 UNL1111 0.6519 26 H -0.3404 -2.3923 -1.2997 H 1 UNL1111 0.1560 27 H 1.8579 -1.6085 -1.9529 H 1 UNL1111 0.1710 28 H 0.4426 -3.5387 0.9228 H 1 UNL1111 0.1424 29 H 0.3842 -1.9432 1.6735 H 1 UNL1111 0.1707 30 H 3.6322 2.4219 -0.8553 H 1 UNL1111 0.1494 31 H 4.4122 2.8959 0.6469 H 1 UNL1111 0.1602 32 H 4.2571 0.4417 1.4639 H 1 UNL1111 0.1256 33 H 2.4381 2.4189 1.9876 H 1 UNL1111 0.1398 34 H 1.7193 1.3930 0.7480 H 1 UNL1111 0.1525 35 H 2.3539 -1.1350 1.0681 H 1 UNL1111 0.1612 36 H 1.5140 3.4627 -0.7736 H 1 UNL1111 0.1293 37 H 2.0710 4.4554 0.5750 H 1 UNL1111 0.1356 38 H 3.7323 -0.1418 -1.5383 H 1 UNL1111 0.1589 39 H -1.9750 -3.5382 0.4927 H 1 UNL1111 0.1397 40 H 0.1442 3.6326 1.9918 H 1 UNL1111 0.1346 41 H -0.3851 2.5702 0.6877 H 1 UNL1111 0.1534 42 H 1.5585 -4.1589 -1.1273 H 1 UNL1111 0.1093 43 H -1.4008 0.5770 -1.9050 H 1 UNL1111 0.1999 44 H -0.0297 -0.2786 -2.6359 H 1 UNL1111 0.1643 45 H 0.2162 1.2521 -1.7658 H 1 UNL1111 0.1916 46 H -1.7878 -0.9654 2.2202 H 1 UNL1111 0.1676 47 H -4.1547 -2.7800 1.3343 H 1 UNL1111 0.1434 48 H -4.0565 -1.9041 2.8612 H 1 UNL1111 0.1543 49 H -0.7642 4.5913 -0.8052 H 1 UNL1111 0.1369 50 H -0.2325 5.6567 0.5013 H 1 UNL1111 0.1401 51 H -1.7102 4.7036 0.6830 H 1 UNL1111 0.1414 52 H -5.4479 -0.6117 1.2476 H 1 UNL1111 0.1539 53 H -3.9880 0.2999 1.6432 H 1 UNL1111 0.1577 54 H 5.9782 -0.0570 -0.1223 H 1 UNL1111 0.3179 55 H -4.3914 -1.4378 -0.9001 H 1 UNL1111 0.1768 56 H -2.8681 -0.6463 -0.4784 H 1 UNL1111 0.1881 57 H -4.0112 1.8351 -2.5279 H 1 UNL1111 0.3585 @BOND 1 1 10 1 2 1 54 1 3 2 14 2 4 3 18 2 5 4 25 1 6 4 57 1 7 5 25 2 8 6 7 1 9 6 8 1 10 6 14 1 11 6 26 1 12 7 12 1 13 7 18 1 14 7 27 1 15 8 16 1 16 8 28 1 17 8 29 1 18 9 10 1 19 9 11 1 20 9 30 1 21 9 31 1 22 10 15 1 23 10 32 1 24 11 13 1 25 11 33 1 26 11 34 1 27 12 15 2 28 12 35 1 29 13 17 1 30 13 36 1 31 13 37 1 32 14 19 1 33 15 38 1 34 16 20 2 35 16 39 1 36 17 22 1 37 17 40 1 38 17 41 1 39 18 42 1 40 19 43 1 41 19 44 1 42 19 45 1 43 20 21 1 44 20 46 1 45 21 23 1 46 21 47 1 47 21 48 1 48 22 49 1 49 22 50 1 50 22 51 1 51 23 24 1 52 23 52 1 53 23 53 1 54 24 25 1 55 24 55 1 56 24 56 1