@MOLECULE (2R,3R)-2-isohexyl-3-[(1R)-1-methylbutyl]oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.8792 -0.3601 -0.2539 C.3 1 UNL11111111 -0.0593 2 C -6.0214 -0.8342 0.6548 C.3 1 UNL11111111 -0.4593 3 C -5.3157 0.8884 -1.0291 C.3 1 UNL11111111 -0.4532 4 C -3.6276 -0.0716 0.5974 C.3 1 UNL11111111 -0.2870 5 C -2.3656 0.0363 -0.2672 C.3 1 UNL11111111 -0.2648 6 C -1.1286 0.2397 0.6157 C.3 1 UNL11111111 -0.3030 7 C 0.1314 0.3210 -0.2089 C.3 1 UNL11111111 0.0087 8 H 0.0240 0.1111 -1.2764 H 1 UNL11111111 0.1511 9 O 0.9742 1.4457 0.0724 O.3 1 UNL11111111 -0.3652 10 C 1.4612 0.1543 0.4512 C.3 1 UNL11111111 -0.0176 11 H 1.5145 0.0010 1.5325 H 1 UNL11111111 0.1496 12 C 2.6567 -0.3459 -0.3337 C.3 1 UNL11111111 -0.1118 13 H 2.6591 0.1316 -1.3457 H 1 UNL11111111 0.1522 14 C 2.5466 -1.8652 -0.4920 C.3 1 UNL11111111 -0.4476 15 C 3.9440 0.0578 0.4075 C.3 1 UNL11111111 -0.2821 16 C 5.1827 -0.0810 -0.4860 C.3 1 UNL11111111 -0.2469 17 C 6.4396 0.3548 0.2678 C.3 1 UNL11111111 -0.4394 18 H -4.6435 -1.1732 -0.9820 H 1 UNL11111111 0.1278 19 H -6.9342 -1.0218 0.0794 H 1 UNL11111111 0.1433 20 H -5.7621 -1.7643 1.1708 H 1 UNL11111111 0.1405 21 H -6.2623 -0.0863 1.4177 H 1 UNL11111111 0.1454 22 H -4.5297 1.2308 -1.7107 H 1 UNL11111111 0.1440 23 H -6.2099 0.6908 -1.6295 H 1 UNL11111111 0.1403 24 H -5.5506 1.7180 -0.3535 H 1 UNL11111111 0.1454 25 H -3.7732 0.8586 1.1769 H 1 UNL11111111 0.1412 26 H -3.4961 -0.8747 1.3470 H 1 UNL11111111 0.1362 27 H -2.2494 -0.8760 -0.8816 H 1 UNL11111111 0.1358 28 H -2.4633 0.8776 -0.9800 H 1 UNL11111111 0.1437 29 H -1.2395 1.1694 1.2145 H 1 UNL11111111 0.1649 30 H -1.0513 -0.5833 1.3535 H 1 UNL11111111 0.1479 31 H 2.5234 -2.3719 0.4791 H 1 UNL11111111 0.1462 32 H 1.6359 -2.1443 -1.0337 H 1 UNL11111111 0.1448 33 H 3.3985 -2.2693 -1.0502 H 1 UNL11111111 0.1474 34 H 3.8546 1.1083 0.7508 H 1 UNL11111111 0.1485 35 H 4.0653 -0.5500 1.3224 H 1 UNL11111111 0.1382 36 H 5.2914 -1.1262 -0.8301 H 1 UNL11111111 0.1323 37 H 5.0603 0.5295 -1.4009 H 1 UNL11111111 0.1359 38 H 6.3748 1.4041 0.5781 H 1 UNL11111111 0.1453 39 H 6.5950 -0.2467 1.1701 H 1 UNL11111111 0.1412 40 H 7.3336 0.2510 -0.3562 H 1 UNL11111111 0.1395 @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 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 15 16 1 17 16 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 6 29 1 30 6 30 1 31 14 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 17 38 1 39 17 39 1 40 17 40 1