@MOLECULE (4s)-4-[(1s,2e)-1-hydroxy-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]-3-methylenedihydro-2(3h)-furanone 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3681 1.4176 1.3229 O.3 1 UNL1111111111 -0.3854 2 O -1.9210 -2.0187 -1.4625 O.3 1 UNL1111111111 -0.5484 3 O -4.5754 1.0867 1.3131 O.2 1 UNL1111111111 -0.4245 4 O 3.7195 -0.6168 1.3265 O.2 1 UNL1111111111 -0.4740 5 C -1.7492 0.2667 -0.6920 C.3 1 UNL1111111111 -0.2165 6 C -1.3347 -1.2105 -0.4542 C.3 1 UNL1111111111 0.1707 7 C -1.2480 1.1658 0.4602 C.3 1 UNL1111111111 -0.0449 8 C -3.2363 0.4142 -0.6068 C.2 1 UNL1111111111 -0.1402 9 C 0.1372 -1.3870 -0.6519 C.2 1 UNL1111111111 -0.2739 10 C -3.5341 0.9860 0.7320 C.2 1 UNL1111111111 0.5738 11 C 0.9865 -1.8514 0.2744 C.2 1 UNL1111111111 0.0952 12 C 2.4375 -2.0416 -0.0648 C.3 1 UNL1111111111 -0.4111 13 C -4.1510 0.1451 -1.5328 C.2 1 UNL1111111111 -0.2281 14 C 0.6070 -2.1946 1.6730 C.3 1 UNL1111111111 -0.4609 15 C 3.1947 -0.7603 0.2469 C.2 1 UNL1111111111 0.5083 16 C 3.2376 0.2497 -0.8121 C.2 1 UNL1111111111 -0.4250 17 C 3.3626 1.5666 -0.5648 C.2 1 UNL1111111111 0.2120 18 C 3.4791 2.5397 -1.6892 C.3 1 UNL1111111111 -0.4814 19 C 3.4039 2.1373 0.8075 C.3 1 UNL1111111111 -0.4809 20 H -1.3593 0.6026 -1.6774 H 1 UNL1111111111 0.1752 21 H -1.7037 -1.5606 0.5369 H 1 UNL1111111111 0.1276 22 H -0.4841 0.6952 1.1006 H 1 UNL1111111111 0.1534 23 H -0.8950 2.1528 0.1182 H 1 UNL1111111111 0.1416 24 H 0.4721 -1.1391 -1.6601 H 1 UNL1111111111 0.1663 25 H 2.5676 -2.3281 -1.1274 H 1 UNL1111111111 0.1693 26 H 2.8792 -2.8799 0.5144 H 1 UNL1111111111 0.1802 27 H -2.8853 -2.0931 -1.3228 H 1 UNL1111111111 0.3133 28 H -3.9071 -0.2348 -2.5189 H 1 UNL1111111111 0.1613 29 H -5.2151 0.2935 -1.3763 H 1 UNL1111111111 0.1687 30 H 1.3215 -2.8884 2.1406 H 1 UNL1111111111 0.1648 31 H 0.5903 -1.2964 2.3078 H 1 UNL1111111111 0.1683 32 H -0.3817 -2.6701 1.7390 H 1 UNL1111111111 0.1608 33 H 3.1765 -0.1370 -1.8267 H 1 UNL1111111111 0.1708 34 H 4.4209 3.1067 -1.6194 H 1 UNL1111111111 0.1676 35 H 2.6628 3.2751 -1.6820 H 1 UNL1111111111 0.1663 36 H 3.4699 2.0553 -2.6771 H 1 UNL1111111111 0.1604 37 H 3.1525 3.2024 0.8518 H 1 UNL1111111111 0.1552 38 H 2.7282 1.6107 1.5013 H 1 UNL1111111111 0.1794 39 H 4.4099 2.0117 1.2469 H 1 UNL1111111111 0.1850 @BOND 1 1 7 1 2 1 10 1 3 2 6 1 4 2 27 1 5 3 10 2 6 4 15 2 7 5 6 1 8 5 7 1 9 5 8 1 10 5 20 1 11 6 9 1 12 6 21 1 13 7 22 1 14 7 23 1 15 8 10 1 16 8 13 2 17 9 11 2 18 9 24 1 19 11 12 1 20 11 14 1 21 12 15 1 22 12 25 1 23 12 26 1 24 13 28 1 25 13 29 1 26 14 30 1 27 14 31 1 28 14 32 1 29 15 16 1 30 16 17 2 31 16 33 1 32 17 18 1 33 17 19 1 34 18 34 1 35 18 35 1 36 18 36 1 37 19 37 1 38 19 38 1 39 19 39 1