@MOLECULE (2S,3R)-2-isohexyl-3-[(1S)-1-methylpropyl]oxirane 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4383 2.4347 0.2890 C.3 1 UNL111 -0.4353 2 C -3.1792 1.0154 0.7917 C.3 1 UNL111 -0.2626 3 C -2.7851 0.0703 -0.3585 C.3 1 UNL111 -0.1063 4 H -2.0201 0.5722 -1.0038 H 1 UNL111 0.1533 5 C -3.9910 -0.2919 -1.2315 C.3 1 UNL111 -0.4464 6 C -2.1943 -1.1991 0.2210 C.3 1 UNL111 -0.0190 7 H -2.9317 -1.9062 0.6154 H 1 UNL111 0.1478 8 O -1.1685 -1.8115 -0.5664 O.3 1 UNL111 -0.3561 9 C -0.7821 -1.2835 0.7074 C.3 1 UNL111 -0.0005 10 H -0.5199 -2.0603 1.4356 H 1 UNL111 0.1467 11 C 0.1615 -0.1095 0.6848 C.3 1 UNL111 -0.2980 12 C 1.5527 -0.5722 0.2302 C.3 1 UNL111 -0.2609 13 C 2.5123 0.6191 0.1327 C.3 1 UNL111 -0.2882 14 C 3.8697 0.2087 -0.4698 C.3 1 UNL111 -0.0574 15 C 4.6894 1.4658 -0.7919 C.3 1 UNL111 -0.4583 16 C 4.6551 -0.6904 0.4922 C.3 1 UNL111 -0.4537 17 H -2.5556 2.8530 -0.2080 H 1 UNL111 0.1427 18 H -4.2652 2.4614 -0.4302 H 1 UNL111 0.1446 19 H -3.7007 3.1054 1.1147 H 1 UNL111 0.1400 20 H -2.3731 1.0329 1.5514 H 1 UNL111 0.1372 21 H -4.0747 0.6266 1.3115 H 1 UNL111 0.1384 22 H -4.7934 -0.7555 -0.6483 H 1 UNL111 0.1433 23 H -4.4088 0.5952 -1.7197 H 1 UNL111 0.1461 24 H -3.7031 -0.9981 -2.0211 H 1 UNL111 0.1533 25 H -0.2048 0.6855 0.0048 H 1 UNL111 0.1538 26 H 0.2143 0.3529 1.6898 H 1 UNL111 0.1464 27 H 1.9505 -1.3305 0.9292 H 1 UNL111 0.1377 28 H 1.4692 -1.0791 -0.7523 H 1 UNL111 0.1516 29 H 2.0586 1.4120 -0.4925 H 1 UNL111 0.1375 30 H 2.6634 1.0707 1.1296 H 1 UNL111 0.1363 31 H 3.6872 -0.3516 -1.4188 H 1 UNL111 0.1322 32 H 4.8978 2.0497 0.1106 H 1 UNL111 0.1428 33 H 5.6518 1.2052 -1.2447 H 1 UNL111 0.1428 34 H 4.1621 2.1184 -1.4954 H 1 UNL111 0.1416 35 H 5.6361 -0.9499 0.0802 H 1 UNL111 0.1412 36 H 4.8220 -0.1973 1.4553 H 1 UNL111 0.1421 37 H 4.1237 -1.6278 0.6882 H 1 UNL111 0.1435 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 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 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 5 22 1 23 5 23 1 24 5 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 15 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 16 37 1