@MOLECULE (8e,10s,12z)-10-hydroxy-6-oxo-8,12-octadecadienoic acid 52 51 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.7073 3.0230 0.2579 C.3 1 UNL1111111111 0.1654 2 C -5.2809 -5.4894 0.3773 C.3 1 UNL1111111111 -0.4399 3 C -5.9573 -4.1193 0.4248 C.3 1 UNL1111111111 -0.2514 4 C -5.0288 -3.0304 -0.1293 C.3 1 UNL1111111111 -0.2720 5 C -5.6883 -1.6505 -0.0233 C.3 1 UNL1111111111 -0.2671 6 C -4.7676 -0.5608 -0.5956 C.3 1 UNL1111111111 -0.2763 7 C -5.4090 0.7800 -0.4485 C.2 1 UNL1111111111 -0.1655 8 C -4.8875 1.8376 0.1798 C.2 1 UNL1111111111 -0.1469 9 C -3.5581 1.8822 0.8556 C.3 1 UNL1111111111 -0.3389 10 C -1.3082 2.9545 0.8001 C.2 1 UNL1111111111 -0.2588 11 C -0.2392 2.8561 0.0089 C.2 1 UNL1111111111 -0.0943 12 C 1.1578 2.7627 0.5275 C.3 1 UNL1111111111 -0.4032 13 C 1.8787 1.5885 -0.0989 C.2 1 UNL1111111111 0.4799 14 O 1.3838 0.9272 -0.9744 O.2 1 UNL1111111111 -0.4462 15 C 3.2590 1.3037 0.4401 C.3 1 UNL1111111111 -0.3879 16 C 3.8732 0.0893 -0.2627 C.3 1 UNL1111111111 -0.2484 17 C 5.2887 -0.1777 0.2541 C.3 1 UNL1111111111 -0.2597 18 C 5.8931 -1.3969 -0.4475 C.3 1 UNL1111111111 -0.3466 19 C 7.2859 -1.6295 0.0392 C.2 1 UNL1111111111 0.6462 20 O 7.9248 -1.0145 0.8509 O.2 1 UNL1111111111 -0.5098 21 O 7.8227 -2.7135 -0.5845 O.3 1 UNL1111111111 -0.5710 22 O -2.7238 2.9602 -1.1495 O.3 1 UNL1111111111 -0.5450 23 H -3.1659 4.0243 0.4450 H 1 UNL1111111111 0.1483 24 H -3.0122 0.9215 0.7657 H 1 UNL1111111111 0.1559 25 H -3.6921 2.0403 1.9449 H 1 UNL1111111111 0.1546 26 H -1.2405 2.9932 1.8833 H 1 UNL1111111111 0.1491 27 H -4.3784 -5.5117 0.9981 H 1 UNL1111111111 0.1420 28 H -5.9503 -6.2760 0.7421 H 1 UNL1111111111 0.1397 29 H -4.9864 -5.7552 -0.6442 H 1 UNL1111111111 0.1428 30 H -6.9004 -4.1426 -0.1530 H 1 UNL1111111111 0.1336 31 H -6.2464 -3.8768 1.4646 H 1 UNL1111111111 0.1334 32 H -4.0696 -3.0368 0.4210 H 1 UNL1111111111 0.1372 33 H -4.7755 -3.2516 -1.1830 H 1 UNL1111111111 0.1380 34 H -6.6557 -1.6491 -0.5587 H 1 UNL1111111111 0.1372 35 H -5.9261 -1.4218 1.0326 H 1 UNL1111111111 0.1388 36 H -3.7788 -0.6085 -0.0984 H 1 UNL1111111111 0.1421 37 H -4.5663 -0.7597 -1.6696 H 1 UNL1111111111 0.1487 38 H -6.3919 0.8511 -0.9185 H 1 UNL1111111111 0.1425 39 H -5.4339 2.7821 0.2176 H 1 UNL1111111111 0.1447 40 H -0.3208 2.8288 -1.0822 H 1 UNL1111111111 0.1716 41 H 1.7045 3.7042 0.2936 H 1 UNL1111111111 0.1794 42 H 1.1839 2.6783 1.6334 H 1 UNL1111111111 0.1692 43 H 3.9055 2.1947 0.3067 H 1 UNL1111111111 0.1676 44 H 3.2106 1.1308 1.5338 H 1 UNL1111111111 0.1659 45 H 3.2268 -0.7984 -0.1115 H 1 UNL1111111111 0.1517 46 H 3.8815 0.2548 -1.3592 H 1 UNL1111111111 0.1543 47 H 5.9336 0.7102 0.0955 H 1 UNL1111111111 0.1529 48 H 5.2794 -0.3369 1.3511 H 1 UNL1111111111 0.1517 49 H 5.2736 -2.3048 -0.2746 H 1 UNL1111111111 0.1840 50 H 5.8957 -1.2618 -1.5521 H 1 UNL1111111111 0.1847 51 H 8.7483 -2.9163 -0.3052 H 1 UNL1111111111 0.3564 52 H -2.4547 2.0729 -1.4646 H 1 UNL1111111111 0.3191 @BOND 1 1 9 1 2 1 10 1 3 1 23 1 4 2 3 1 5 2 27 1 6 2 28 1 7 2 29 1 8 3 4 1 9 3 30 1 10 3 31 1 11 4 5 1 12 4 32 1 13 4 33 1 14 5 6 1 15 5 34 1 16 5 35 1 17 6 7 1 18 6 36 1 19 6 37 1 20 7 8 2 21 7 38 1 22 8 9 1 23 8 39 1 24 9 24 1 25 9 25 1 26 10 11 2 27 10 26 1 28 11 12 1 29 11 40 1 30 12 13 1 31 12 41 1 32 12 42 1 33 13 14 2 34 13 15 1 35 15 16 1 36 15 43 1 37 15 44 1 38 16 17 1 39 16 45 1 40 16 46 1 41 17 18 1 42 17 47 1 43 17 48 1 44 18 19 1 45 18 49 1 46 18 50 1 47 19 20 2 48 19 21 1 49 21 51 1 50 22 52 1 51 22 1 1