@MOLECULE (6r,8as)-5-hydroxy-4-methoxy-6,8a-dimethyl-6,8a-dihydro-2h,7h-pyrano[2,3-b]pyran-2-one 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9023 -1.8887 0.6082 O.3 1 UNL1111111111 -0.3816 2 O 1.1746 -1.6228 -0.0391 O.3 1 UNL1111111111 -0.4524 3 O -1.6053 1.8674 -0.8698 O.2 1 UNL1111111111 -0.4726 4 O 1.2021 2.4982 0.1725 O.2 1 UNL1111111111 -0.2815 5 O 2.9435 -1.5669 -1.3005 O.2 1 UNL1111111111 -0.4359 6 C 0.1794 -0.9690 0.7326 C.3 1 UNL1111111111 0.5215 7 C -2.5262 -0.2837 -0.2066 C.3 1 UNL1111111111 -0.2138 8 C -0.1341 0.3971 0.1572 C.2 1 UNL1111111111 -0.3988 9 C -2.1751 -1.3440 0.8554 C.3 1 UNL1111111111 -0.0311 10 C -1.3725 0.6680 -0.2929 C.2 1 UNL1111111111 0.3551 11 C 0.6404 -0.9405 2.1864 C.3 1 UNL1111111111 -0.5105 12 C 1.0736 1.1777 -0.0447 C.2 1 UNL1111111111 0.3752 13 C -2.7236 -0.9424 -1.5725 C.3 1 UNL1111111111 -0.4366 14 C 2.1940 0.5407 -0.4656 C.2 1 UNL1111111111 -0.4977 15 C 2.1717 -0.8957 -0.6688 C.2 1 UNL1111111111 0.6445 16 C 0.1189 3.2026 0.7690 C.3 1 UNL1111111111 -0.1988 17 H -3.4586 0.2488 0.1001 H 1 UNL1111111111 0.1563 18 H -2.2278 -0.9311 1.8779 H 1 UNL1111111111 0.1227 19 H -2.8271 -2.2369 0.7849 H 1 UNL1111111111 0.1582 20 H 0.8169 -1.9680 2.5419 H 1 UNL1111111111 0.1836 21 H -0.1007 -0.4773 2.8418 H 1 UNL1111111111 0.1526 22 H 1.5866 -0.3947 2.2926 H 1 UNL1111111111 0.1725 23 H -1.8611 -1.5879 -1.8207 H 1 UNL1111111111 0.1879 24 H -2.8275 -0.2136 -2.3822 H 1 UNL1111111111 0.1442 25 H -3.6119 -1.5849 -1.5842 H 1 UNL1111111111 0.1559 26 H 3.1291 1.0509 -0.6730 H 1 UNL1111111111 0.2087 27 H -2.4923 1.9195 -1.3072 H 1 UNL1111111111 0.3377 28 H 0.6293 4.0244 1.2895 H 1 UNL1111111111 0.1490 29 H -0.4511 2.5952 1.4747 H 1 UNL1111111111 0.1354 30 H -0.5232 3.5926 -0.0301 H 1 UNL1111111111 0.1503 @BOND 1 1 6 1 2 1 9 1 3 2 6 1 4 2 15 1 5 3 10 1 6 3 27 1 7 4 12 1 8 4 16 1 9 5 15 2 10 6 8 1 11 6 11 1 12 7 9 1 13 7 10 1 14 7 13 1 15 7 17 1 16 8 10 2 17 8 12 1 18 9 18 1 19 9 19 1 20 11 20 1 21 11 21 1 22 11 22 1 23 12 14 2 24 13 23 1 25 13 24 1 26 13 25 1 27 14 15 1 28 14 26 1 29 16 28 1 30 16 29 1 31 16 30 1