@MOLECULE (2S,3R)-3-isobutyl-2-methyl-2-propyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7687 -0.0768 0.1883 C.3 1 UNL11111111 -0.0485 2 C 3.6075 -1.2359 0.7408 C.3 1 UNL11111111 -0.4565 3 C 2.9049 -0.0078 -1.3356 C.3 1 UNL11111111 -0.4553 4 C 1.2919 -0.2692 0.5875 C.3 1 UNL11111111 -0.3178 5 C 0.4655 0.9382 0.2304 C.3 1 UNL11111111 -0.0080 6 H 0.9845 1.8984 0.3258 H 1 UNL11111111 0.1481 7 O -0.3161 0.8273 -0.9649 O.3 1 UNL11111111 -0.3771 8 C -1.0347 0.9241 0.2712 C.3 1 UNL11111111 0.1684 9 C -1.7577 2.2318 0.4623 C.3 1 UNL11111111 -0.4716 10 C -1.8167 -0.3065 0.6661 C.3 1 UNL11111111 -0.3016 11 C -2.6435 -0.8101 -0.5256 C.3 1 UNL11111111 -0.2382 12 C -3.4339 -2.0620 -0.1509 C.3 1 UNL11111111 -0.4411 13 H 3.1415 0.8784 0.6304 H 1 UNL11111111 0.1266 14 H 4.6639 -1.1186 0.4754 H 1 UNL11111111 0.1439 15 H 3.5463 -1.2926 1.8321 H 1 UNL11111111 0.1393 16 H 3.2748 -2.1987 0.3379 H 1 UNL11111111 0.1461 17 H 2.2435 0.7593 -1.7588 H 1 UNL11111111 0.1558 18 H 3.9298 0.2300 -1.6354 H 1 UNL11111111 0.1400 19 H 2.6292 -0.9571 -1.8080 H 1 UNL11111111 0.1479 20 H 0.8904 -1.1720 0.0820 H 1 UNL11111111 0.1626 21 H 1.2164 -0.4655 1.6745 H 1 UNL11111111 0.1467 22 H -2.8165 2.1517 0.1831 H 1 UNL11111111 0.1593 23 H -1.7104 2.5625 1.5065 H 1 UNL11111111 0.1546 24 H -1.3268 3.0258 -0.1637 H 1 UNL11111111 0.1649 25 H -1.1438 -1.1124 1.0175 H 1 UNL11111111 0.1484 26 H -2.4776 -0.0806 1.5251 H 1 UNL11111111 0.1482 27 H -3.3270 -0.0150 -0.8776 H 1 UNL11111111 0.1366 28 H -1.9693 -1.0207 -1.3808 H 1 UNL11111111 0.1527 29 H -4.0264 -2.4233 -0.9995 H 1 UNL11111111 0.1432 30 H -2.7711 -2.8779 0.1580 H 1 UNL11111111 0.1424 31 H -4.1274 -1.8686 0.6743 H 1 UNL11111111 0.1398 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 7 8 1 8 5 8 1 9 8 9 1 10 8 10 1 11 10 11 1 12 11 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 12 31 1