@MOLECULE (1s,3r,9s,10r)-9-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0437 2.6760 0.2554 O.3 1 UNL1111111111 -0.3542 2 O 3.0645 0.7588 -0.5287 O.3 1 UNL1111111111 -0.5510 3 O -1.4360 -0.5565 -0.3154 O.3 1 UNL1111111111 -0.4421 4 O 1.0179 -2.5044 -1.3377 O.2 1 UNL1111111111 -0.4095 5 O -1.5232 -0.7212 1.9313 O.2 1 UNL1111111111 -0.5034 6 C -0.1846 2.0048 0.5483 C.3 1 UNL1111111111 0.0293 7 C 1.1353 1.3302 0.7390 C.3 1 UNL1111111111 -0.0750 8 C -1.0815 1.7653 -0.6357 C.3 1 UNL1111111111 -0.3533 9 C 1.7334 0.3518 -0.2576 C.3 1 UNL1111111111 0.1641 10 C -2.1357 0.6993 -0.3171 C.3 1 UNL1111111111 0.1659 11 C 1.8905 -1.0570 0.3348 C.3 1 UNL1111111111 -0.4223 12 C -3.1615 0.5528 -1.4334 C.3 1 UNL1111111111 -0.4785 13 C 0.8848 -2.0104 -0.2513 C.2 1 UNL1111111111 0.4960 14 C -0.3144 -2.3581 0.6140 C.3 1 UNL1111111111 -0.4736 15 C -1.1494 -1.1404 0.8679 C.2 1 UNL1111111111 0.6254 16 H -0.7002 2.3914 1.4393 H 1 UNL1111111111 0.1600 17 H 1.5538 1.2556 1.7508 H 1 UNL1111111111 0.1671 18 H -1.5767 2.7171 -0.9238 H 1 UNL1111111111 0.1720 19 H -0.4992 1.4680 -1.5337 H 1 UNL1111111111 0.1759 20 H 1.1836 0.3352 -1.2279 H 1 UNL1111111111 0.1438 21 H -2.6194 0.8702 0.6712 H 1 UNL1111111111 0.1497 22 H 1.8578 -1.0395 1.4392 H 1 UNL1111111111 0.1726 23 H 2.9238 -1.4150 0.0830 H 1 UNL1111111111 0.2135 24 H -2.6846 0.2759 -2.3841 H 1 UNL1111111111 0.1683 25 H -3.8860 -0.2395 -1.2026 H 1 UNL1111111111 0.1617 26 H -3.7202 1.4815 -1.5919 H 1 UNL1111111111 0.1579 27 H 3.0914 1.7105 -0.7695 H 1 UNL1111111111 0.3306 28 H -0.9318 -3.1365 0.1053 H 1 UNL1111111111 0.2082 29 H 0.0095 -2.8106 1.5757 H 1 UNL1111111111 0.2008 @BOND 1 1 6 1 2 1 7 1 3 2 9 1 4 2 27 1 5 3 10 1 6 3 15 1 7 4 13 2 8 5 15 2 9 6 7 1 10 6 8 1 11 6 16 1 12 7 9 1 13 7 17 1 14 8 10 1 15 8 18 1 16 8 19 1 17 9 11 1 18 9 20 1 19 10 12 1 20 10 21 1 21 11 13 1 22 11 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 14 1 28 14 15 1 29 14 28 1 30 14 29 1