@MOLECULE (3e)-4-[(1r,6s)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-buten-2-one 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7110 -0.8049 1.1765 O.3 1 UNL1111111111 -0.3732 2 O 3.6384 -0.0630 -1.2153 O.2 1 UNL1111111111 -0.4689 3 C -0.4807 -0.0595 -0.0301 C.3 1 UNL1111111111 0.0733 4 C -1.1898 -1.3872 -0.0385 C.3 1 UNL1111111111 0.1929 5 C -1.2346 1.2688 -0.1169 C.3 1 UNL1111111111 0.0952 6 C -2.6920 -1.4529 -0.1699 C.3 1 UNL1111111111 -0.2997 7 C -2.7134 1.0361 -0.5028 C.3 1 UNL1111111111 -0.2914 8 C -3.3365 -0.1324 0.2645 C.3 1 UNL1111111111 -0.2609 9 C -0.4636 -2.6275 -0.4809 C.3 1 UNL1111111111 -0.4783 10 C 0.9382 -0.0128 -0.4519 C.2 1 UNL1111111111 -0.0557 11 C -1.1344 1.9545 1.2536 C.3 1 UNL1111111111 -0.4562 12 C -0.6066 2.1825 -1.1830 C.3 1 UNL1111111111 -0.4686 13 C 1.9501 -0.0399 0.4220 C.2 1 UNL1111111111 -0.3168 14 C 3.3505 -0.0037 -0.0424 C.2 1 UNL1111111111 0.4985 15 C 4.4062 0.1101 1.0178 C.3 1 UNL1111111111 -0.5456 16 H -3.0851 -2.2854 0.4479 H 1 UNL1111111111 0.1530 17 H -2.9657 -1.6886 -1.2171 H 1 UNL1111111111 0.1509 18 H -2.7903 0.8461 -1.5904 H 1 UNL1111111111 0.1423 19 H -3.2894 1.9617 -0.3172 H 1 UNL1111111111 0.1411 20 H -3.1981 0.0100 1.3552 H 1 UNL1111111111 0.1535 21 H -4.4278 -0.1660 0.0961 H 1 UNL1111111111 0.1343 22 H -0.4718 -2.7262 -1.5738 H 1 UNL1111111111 0.1610 23 H 0.5884 -2.6205 -0.1569 H 1 UNL1111111111 0.1718 24 H -0.9161 -3.5329 -0.0556 H 1 UNL1111111111 0.1614 25 H 1.1053 0.0362 -1.5339 H 1 UNL1111111111 0.1732 26 H -1.5817 1.3330 2.0408 H 1 UNL1111111111 0.1603 27 H -0.0890 2.1229 1.5369 H 1 UNL1111111111 0.1505 28 H -1.6452 2.9214 1.2590 H 1 UNL1111111111 0.1445 29 H -1.1746 3.1145 -1.2823 H 1 UNL1111111111 0.1513 30 H 0.4215 2.4626 -0.9238 H 1 UNL1111111111 0.1557 31 H -0.5856 1.7036 -2.1676 H 1 UNL1111111111 0.1486 32 H 1.7846 -0.0986 1.4967 H 1 UNL1111111111 0.1777 33 H 5.4139 0.1415 0.5778 H 1 UNL1111111111 0.1771 34 H 4.3742 -0.7446 1.7066 H 1 UNL1111111111 0.1741 35 H 4.2772 1.0226 1.6147 H 1 UNL1111111111 0.1731 @BOND 1 1 3 1 2 1 4 1 3 2 14 2 4 3 4 1 5 3 5 1 6 3 10 1 7 4 6 1 8 4 9 1 9 5 7 1 10 5 11 1 11 5 12 1 12 6 8 1 13 6 16 1 14 6 17 1 15 7 8 1 16 7 18 1 17 7 19 1 18 8 20 1 19 8 21 1 20 9 22 1 21 9 23 1 22 9 24 1 23 10 13 2 24 10 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 14 1 32 13 32 1 33 14 15 1 34 15 33 1 35 15 34 1 36 15 35 1