@MOLECULE (2R,3S)-2-isohexyl-3-isopentyl-oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.3794 -0.8685 0.4373 C.3 1 UNL11111111 -0.0566 2 C 4.1781 -2.0900 -0.4675 C.3 1 UNL11111111 -0.4541 3 C 5.8761 -0.5578 0.5665 C.3 1 UNL11111111 -0.4570 4 C 3.6419 0.3631 -0.1230 C.3 1 UNL11111111 -0.2835 5 C 2.1239 0.2262 0.0408 C.3 1 UNL11111111 -0.2984 6 C 1.3978 1.4406 -0.4789 C.3 1 UNL11111111 0.0006 7 H 1.9924 2.1203 -1.0967 H 1 UNL11111111 0.1488 8 O 0.5608 2.1146 0.4685 O.3 1 UNL11111111 -0.3636 9 C -0.0932 1.4436 -0.6146 C.3 1 UNL11111111 0.0016 10 H -0.5643 2.1241 -1.3307 H 1 UNL11111111 0.1483 11 C -0.9063 0.2313 -0.2391 C.3 1 UNL11111111 -0.2979 12 C -2.4092 0.4993 -0.3879 C.3 1 UNL11111111 -0.2655 13 C -3.2161 -0.7150 0.0886 C.3 1 UNL11111111 -0.2875 14 C -4.7228 -0.5467 -0.1854 C.3 1 UNL11111111 -0.0587 15 C -5.4325 -1.8953 -0.0020 C.3 1 UNL11111111 -0.4591 16 C -5.3418 0.4972 0.7509 C.3 1 UNL11111111 -0.4529 17 H 3.9752 -1.1017 1.4520 H 1 UNL11111111 0.1311 18 H 3.1186 -2.3487 -0.5651 H 1 UNL11111111 0.1411 19 H 4.5683 -1.9113 -1.4748 H 1 UNL11111111 0.1437 20 H 4.6947 -2.9681 -0.0661 H 1 UNL11111111 0.1412 21 H 6.3162 -0.2987 -0.4021 H 1 UNL11111111 0.1440 22 H 6.0532 0.2804 1.2490 H 1 UNL11111111 0.1441 23 H 6.4277 -1.4193 0.9577 H 1 UNL11111111 0.1424 24 H 3.9902 1.2751 0.3999 H 1 UNL11111111 0.1443 25 H 3.9036 0.5060 -1.1872 H 1 UNL11111111 0.1389 26 H 1.7673 -0.6822 -0.4851 H 1 UNL11111111 0.1487 27 H 1.8723 0.0723 1.1120 H 1 UNL11111111 0.1626 28 H -0.6110 -0.6311 -0.8698 H 1 UNL11111111 0.1469 29 H -0.6803 -0.0645 0.8073 H 1 UNL11111111 0.1616 30 H -2.6910 1.3968 0.1958 H 1 UNL11111111 0.1462 31 H -2.6539 0.7311 -1.4409 H 1 UNL11111111 0.1356 32 H -2.8488 -1.6267 -0.4193 H 1 UNL11111111 0.1355 33 H -3.0485 -0.8834 1.1685 H 1 UNL11111111 0.1413 34 H -4.8622 -0.2118 -1.2413 H 1 UNL11111111 0.1277 35 H -5.3035 -2.2807 1.0150 H 1 UNL11111111 0.1452 36 H -6.5084 -1.8040 -0.1843 H 1 UNL11111111 0.1432 37 H -5.0450 -2.6493 -0.6945 H 1 UNL11111111 0.1400 38 H -5.2484 0.1998 1.8007 H 1 UNL11111111 0.1455 39 H -4.8555 1.4722 0.6411 H 1 UNL11111111 0.1448 40 H -6.4075 0.6356 0.5415 H 1 UNL11111111 0.1403 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 6 9 1 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1