@MOLECULE (4r,5s,8s,9z)-9-ethylidene-5,8-dihydroxy-4-propyl-4,5,7,8,9,10-hexahydro-1h-cyclonona[c]furan-1,3,6-trione 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4273 -3.0267 0.6223 O.3 1 UNL111111111 -0.5743 2 O 0.8396 2.7789 0.6573 O.3 1 UNL111111111 -0.4331 3 O -1.2996 -2.0940 -1.5618 O.3 1 UNL111111111 -0.5917 4 O -0.9450 -0.2331 2.0874 O.2 1 UNL111111111 -0.4328 5 O 2.3655 1.4932 1.6929 O.2 1 UNL111111111 -0.3613 6 O -0.8710 3.4934 -0.6205 O.2 1 UNL111111111 -0.3630 7 C 1.2685 -0.8791 -0.0808 C.3 1 UNL111111111 -0.1484 8 C 0.5943 -1.6892 1.0518 C.3 1 UNL111111111 0.0385 9 C 2.7948 -1.0507 -0.0206 C.3 1 UNL111111111 -0.2832 10 C 0.8580 0.5402 -0.0163 C.2 1 UNL111111111 -0.1304 11 C -0.1277 1.1453 -0.7049 C.2 1 UNL111111111 -0.0537 12 C -1.0942 0.5914 -1.6703 C.3 1 UNL111111111 -0.2719 13 C -0.8218 -1.1815 1.3560 C.2 1 UNL111111111 0.4674 14 C -2.0047 -1.8895 0.7636 C.3 1 UNL111111111 -0.4370 15 C -2.2535 -1.4968 -0.7057 C.3 1 UNL111111111 0.1904 16 C 3.4570 -0.4947 -1.2884 C.3 1 UNL111111111 -0.2416 17 C -2.2562 -0.0060 -0.9229 C.2 1 UNL111111111 -0.0903 18 C 1.4903 1.5520 0.8910 C.2 1 UNL111111111 0.5893 19 C -0.1727 2.5899 -0.2886 C.2 1 UNL111111111 0.5700 20 C 4.9764 -0.6259 -1.2026 C.3 1 UNL111111111 -0.4411 21 C -3.2531 0.7844 -0.5027 C.2 1 UNL111111111 -0.1151 22 C -4.4579 0.3296 0.2374 C.3 1 UNL111111111 -0.4513 23 H 0.9082 -1.3105 -1.0625 H 1 UNL111111111 0.1845 24 H 1.2015 -1.6798 1.9871 H 1 UNL111111111 0.1610 25 H 3.0547 -2.1188 0.0945 H 1 UNL111111111 0.1328 26 H 3.2111 -0.5442 0.8758 H 1 UNL111111111 0.1710 27 H -1.4537 1.3752 -2.3786 H 1 UNL111111111 0.1758 28 H -0.6176 -0.1770 -2.3297 H 1 UNL111111111 0.1938 29 H -1.8757 -2.9921 0.8386 H 1 UNL111111111 0.1892 30 H -2.9105 -1.6536 1.3647 H 1 UNL111111111 0.1853 31 H -3.2231 -1.9378 -1.0581 H 1 UNL111111111 0.1406 32 H 3.1804 0.5686 -1.4289 H 1 UNL111111111 0.1417 33 H 3.0806 -1.0259 -2.1829 H 1 UNL111111111 0.1337 34 H 1.2953 -3.4714 0.5201 H 1 UNL111111111 0.3352 35 H 5.3795 -0.0698 -0.3469 H 1 UNL111111111 0.1511 36 H 5.2890 -1.6698 -1.0949 H 1 UNL111111111 0.1402 37 H 5.4605 -0.2308 -2.1032 H 1 UNL111111111 0.1442 38 H -3.2133 1.8650 -0.6766 H 1 UNL111111111 0.1627 39 H -0.6561 -2.6399 -1.0585 H 1 UNL111111111 0.3451 40 H -4.2733 0.3510 1.3255 H 1 UNL111111111 0.1705 41 H -4.7717 -0.6887 -0.0253 H 1 UNL111111111 0.1483 42 H -5.3210 0.9863 0.0523 H 1 UNL111111111 0.1578 @BOND 1 1 8 1 2 1 34 1 3 2 18 1 4 2 19 1 5 3 15 1 6 3 39 1 7 4 13 2 8 5 18 2 9 6 19 2 10 7 8 1 11 7 9 1 12 7 10 1 13 7 23 1 14 8 13 1 15 8 24 1 16 9 16 1 17 9 25 1 18 9 26 1 19 10 11 2 20 10 18 1 21 11 12 1 22 11 19 1 23 12 17 1 24 12 27 1 25 12 28 1 26 13 14 1 27 14 15 1 28 14 29 1 29 14 30 1 30 15 17 1 31 15 31 1 32 16 20 1 33 16 32 1 34 16 33 1 35 17 21 2 36 20 35 1 37 20 36 1 38 20 37 1 39 21 22 1 40 21 38 1 41 22 40 1 42 22 41 1 43 22 42 1